4-[[7-(2-bromo-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-chloro-3-[3-[4-[[2-(diethylamino)ethyl-methylamino]methyl]anilino]-5-methyl-1,2,4-benzotriazin-7-yl]phenol;3-[[7-(2-chloro-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-[2-(dimethylamino)ethyl]benzamide;4-[[7-(2-chloro-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-ethyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[7-(2-chloro-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide;[4-[[7-(2-chloro-5-hydroxyphenyl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;4-[[7-(2-chloro-6-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenol;4-chloro-3-[5-methyl-3-(2-pyrrolidin-1-ylethylamino)-1,2,4-benzotriazin-7-yl]phenol;4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethylsulfanyl)anilino]-1,2,4-benzotriazin-7-yl]phenol;3,5-dimethyl-4-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenol;4-[[7-(2-fluoro-3-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[7-(2-fluoro-6-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-fluoro-3-[6-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenol

C364H382BrCl9F3N79O32S7 — CID 157452739

IUPAC4-[[7-(2-bromo-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-chloro-3-[3-[4-[[2-(diethylamino)ethyl-methylamino]methyl]anilino]-5-methyl-1,2,4-benzotriazin-7-yl]phenol;3-[[7-(2-chloro-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-[2-(dimethylamino)ethyl]benzamide;4-[[7-(2-chloro-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-ethyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[7-(2-chloro-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide;[4-[[7-(2-chloro-5-hydroxyphenyl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;4-[[7-(2-chloro-6-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenol;4-chloro-3-[5-methyl-3-(2-pyrrolidin-1-ylethylamino)-1,2,4-benzotriazin-7-yl]phenol;4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethylsulfanyl)anilino]-1,2,4-benzotriazin-7-yl]phenol;3,5-dimethyl-4-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenol;4-[[7-(2-fluoro-3-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[7-(2-fluoro-6-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-fluoro-3-[6-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenol
SMILESCCN(CC)CCN(C)Cc1ccc(Nc2nnc3cc(-c4cc(O)ccc4Cl)cc(C)c3n2)cc1.CCN(CCN1CCCC1)S(=O)(=O)c1ccc(Nc2nnc3cc(-c4cc(O)ccc4Cl)cc(C)c3n2)cc1.Cc1cc(-c2c(O)cccc2Cl)cc2nnc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nc12.Cc1cc(-c2c(O)cccc2F)cc2nnc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nc12.Cc1cc(-c2cc(O)ccc2Br)cc2nnc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nc12.Cc1cc(-c2cc(O)ccc2Cl)cc2nnc(NCCN3CCCC3)nc12.Cc1cc(-c2cc(O)ccc2Cl)cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12.Cc1cc(-c2cc(O)ccc2Cl)cc2nnc(Nc3ccc(S(=O)(=O)N(C)CCN4CCOCC4)cc3)nc12.Cc1cc(-c2cc(O)ccc2Cl)cc2nnc(Nc3ccc(SCCN4CCCC4)cc3)nc12.Cc1cc(-c2cc(O)ccc2Cl)cc2nnc(Nc3cccc(C(=O)NCCN(C)C)c3)nc12.Cc1cc(-c2cccc(O)c2F)cc2nnc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nc12.Cc1cc(O)cc(C)c1-c1cc(C)c2nc(Nc3ccc(OCCN4CCCC4)cc3)nnc2c1.Cc1cc2nc(Nc3ccc(C(=O)N4CCN(C)CC4)cc3)nnc2cc1-c1cc(O)ccc1Cl.Cc1cc2nc(Nc3ccc(OCCN4CCCC4)cc3)nnc2cc1-c1cc(O)ccc1F
InChIInChI=1S/C28H31ClN6O3S.C28H33ClN6O.C28H31N5O2.C27H29ClN6O4S.C26H27BrN6O3S.C26H27ClN6O3S.C26H25ClN6O2.C26H26ClN5O2.C26H26ClN5OS.2C26H27FN6O3S.C26H26FN5O2.C25H25ClN6O2.C20H22ClN5O/c1-3-35(15-14-34-12-4-5-13-34)39(37,38)23-9-6-21(7-10-23)30-28-31-27-19(2)16-20(17-26(27)32-33-28)24-18-22(36)8-11-25(24)29;1-5-35(6-2)14-13-34(4)18-20-7-9-22(10-8-20)30-28-31-27-19(3)15-21(16-26(27)32-33-28)24-17-23(36)11-12-25(24)29;1-18-15-23(34)16-19(2)26(18)21-14-20(3)27-25(17-21)31-32-28(30-27)29-22-6-8-24(9-7-22)35-13-12-33-10-4-5-11-33;1-18-15-19(23-17-21(35)5-8-24(23)28)16-25-26(18)30-27(32-31-25)29-20-3-6-22(7-4-20)39(36,37)33(2)9-10-34-11-13-38-14-12-34;1-17-14-18(22-16-20(34)6-9-23(22)27)15-24-25(17)30-26(32-31-24)29-19-4-7-21(8-5-19)37(35,36)28-10-13-33-11-2-3-12-33;1-17-15-18(24-21(27)5-4-6-23(24)34)16-22-25(17)30-26(32-31-22)29-19-7-9-20(10-8-19)37(35,36)28-11-14-33-12-2-3-13-33;1-16-13-23-24(15-20(16)21-14-19(34)7-8-22(21)27)30-31-26(29-23)28-18-5-3-17(4-6-18)25(35)33-11-9-32(2)10-12-33;2*1-17-14-18(22-16-20(33)6-9-23(22)27)15-24-25(17)29-26(31-30-24)28-19-4-7-21(8-5-19)34-13-12-32-10-2-3-11-32;1-17-15-18(24-21(27)5-4-6-23(24)34)16-22-25(17)30-26(32-31-22)29-19-7-9-20(10-8-19)37(35,36)28-11-14-33-12-2-3-13-33;1-17-15-18(21-5-4-6-23(34)24(21)27)16-22-25(17)30-26(32-31-22)29-19-7-9-20(10-8-19)37(35,36)28-11-14-33-12-2-3-13-33;1-17-14-24-25(16-21(17)22-15-19(33)6-9-23(22)27)30-31-26(29-24)28-18-4-7-20(8-5-18)34-13-12-32-10-2-3-11-32;1-15-11-17(20-14-19(33)7-8-21(20)26)13-22-23(15)29-25(31-30-22)28-18-6-4-5-16(12-18)24(34)27-9-10-32(2)3;1-13-10-14(16-12-15(27)4-5-17(16)21)11-18-19(13)23-20(25-24-18)22-6-9-26-7-2-3-8-26/h6-11,16-18,36H,3-5,12-15H2,1-2H3,(H,30,31,33);7-12,15-17,36H,5-6,13-14,18H2,1-4H3,(H,30,31,33);6-9,14-17,34H,4-5,10-13H2,1-3H3,(H,29,30,32);3-8,15-17,35H,9-14H2,1-2H3,(H,29,30,32);4-9,14-16,28,34H,2-3,10-13H2,1H3,(H,29,30,32);4-10,15-16,28,34H,2-3,11-14H2,1H3,(H,29,30,32);3-8,13-15,34H,9-12H2,1-2H3,(H,28,29,31);2*4-9,14-16,33H,2-3,10-13H2,1H3,(H,28,29,31);2*4-10,15-16,28,34H,2-3,11-14H2,1H3,(H,29,30,32);4-9,14-16,33H,2-3,10-13H2,1H3,(H,28,29,31);4-8,11-14,33H,9-10H2,1-3H3,(H,27,34)(H,28,29,31);4-5,10-12,27H,2-3,6-9H2,1H3,(H,22,23,25)
InChIKeyBSZIDIMLMPHGHU-UHFFFAOYSA-N
MW7056.03 g/mol
LogP67.35
Rot. Bonds103

About 4-[[7-(2-bromo-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-chloro-3-[3-[4-[[2-(diethylamino)ethyl-methylamino]methyl]anilino]-5-methyl-1,2,4-benzotriazin-7-yl]phenol;3-[[7-(2-chloro-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-[2-(dimethylamino)ethyl]benzamide;4-[[7-(2-chloro-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-ethyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[7-(2-chloro-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide;[4-[[7-(2-chloro-5-hydroxyphenyl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;4-[[7-(2-chloro-6-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenol;4-chloro-3-[5-methyl-3-(2-pyrrolidin-1-ylethylamino)-1,2,4-benzotriazin-7-yl]phenol;4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethylsulfanyl)anilino]-1,2,4-benzotriazin-7-yl]phenol;3,5-dimethyl-4-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenol;4-[[7-(2-fluoro-3-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[7-(2-fluoro-6-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-fluoro-3-[6-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenol

4-[[7-(2-bromo-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-chloro-3-[3-[4-[[2-(diethylamino)ethyl-methylamino]methyl]anilino]-5-methyl-1,2,4-benzotriazin-7-yl]phenol;3-[[7-(2-chloro-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-[2-(dimethylamino)ethyl]benzamide;4-[[7-(2-chloro-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-ethyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[7-(2-chloro-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide;[4-[[7-(2-chloro-5-hydroxyphenyl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;4-[[7-(2-chloro-6-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenol;4-chloro-3-[5-methyl-3-(2-pyrrolidin-1-ylethylamino)-1,2,4-benzotriazin-7-yl]phenol;4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethylsulfanyl)anilino]-1,2,4-benzotriazin-7-yl]phenol;3,5-dimethyl-4-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenol;4-[[7-(2-fluoro-3-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[7-(2-fluoro-6-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-fluoro-3-[6-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenol (PubChem CID 157452739) has the molecular formula C364H382BrCl9F3N79O32S7 and a molecular weight of 7056.03 g/mol. Its IUPAC name is 4-[[7-(2-bromo-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-chloro-3-[3-[4-[[2-(diethylamino)ethyl-methylamino]methyl]anilino]-5-methyl-1,2,4-benzotriazin-7-yl]phenol;3-[[7-(2-chloro-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-[2-(dimethylamino)ethyl]benzamide;4-[[7-(2-chloro-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-ethyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[7-(2-chloro-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide;[4-[[7-(2-chloro-5-hydroxyphenyl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;4-[[7-(2-chloro-6-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenol;4-chloro-3-[5-methyl-3-(2-pyrrolidin-1-ylethylamino)-1,2,4-benzotriazin-7-yl]phenol;4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethylsulfanyl)anilino]-1,2,4-benzotriazin-7-yl]phenol;3,5-dimethyl-4-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenol;4-[[7-(2-fluoro-3-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[7-(2-fluoro-6-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-fluoro-3-[6-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenol.

Molecular Properties

Compound Name4-[[7-(2-bromo-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-chloro-3-[3-[4-[[2-(diethylamino)ethyl-methylamino]methyl]anilino]-5-methyl-1,2,4-benzotriazin-7-yl]phenol;3-[[7-(2-chloro-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-[2-(dimethylamino)ethyl]benzamide;4-[[7-(2-chloro-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-ethyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[7-(2-chloro-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide;[4-[[7-(2-chloro-5-hydroxyphenyl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;4-[[7-(2-chloro-6-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenol;4-chloro-3-[5-methyl-3-(2-pyrrolidin-1-ylethylamino)-1,2,4-benzotriazin-7-yl]phenol;4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethylsulfanyl)anilino]-1,2,4-benzotriazin-7-yl]phenol;3,5-dimethyl-4-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenol;4-[[7-(2-fluoro-3-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[7-(2-fluoro-6-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-fluoro-3-[6-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenol
PubChem CID157452739
Molecular FormulaC364H382BrCl9F3N79O32S7
Molecular Weight7056.03 g/mol
Exact Mass7045.51
IUPAC Name4-[[7-(2-bromo-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-chloro-3-[3-[4-[[2-(diethylamino)ethyl-methylamino]methyl]anilino]-5-methyl-1,2,4-benzotriazin-7-yl]phenol;3-[[7-(2-chloro-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-[2-(dimethylamino)ethyl]benzamide;4-[[7-(2-chloro-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-ethyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[7-(2-chloro-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide;[4-[[7-(2-chloro-5-hydroxyphenyl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;4-[[7-(2-chloro-6-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenol;4-chloro-3-[5-methyl-3-(2-pyrrolidin-1-ylethylamino)-1,2,4-benzotriazin-7-yl]phenol;4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethylsulfanyl)anilino]-1,2,4-benzotriazin-7-yl]phenol;3,5-dimethyl-4-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenol;4-[[7-(2-fluoro-3-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[7-(2-fluoro-6-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-fluoro-3-[6-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenol
SMILESCCN(CC)CCN(C)Cc1ccc(Nc2nnc3cc(-c4cc(O)ccc4Cl)cc(C)c3n2)cc1.CCN(CCN1CCCC1)S(=O)(=O)c1ccc(Nc2nnc3cc(-c4cc(O)ccc4Cl)cc(C)c3n2)cc1.Cc1cc(-c2c(O)cccc2Cl)cc2nnc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nc12.Cc1cc(-c2c(O)cccc2F)cc2nnc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nc12.Cc1cc(-c2cc(O)ccc2Br)cc2nnc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nc12.Cc1cc(-c2cc(O)ccc2Cl)cc2nnc(NCCN3CCCC3)nc12.Cc1cc(-c2cc(O)ccc2Cl)cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12.Cc1cc(-c2cc(O)ccc2Cl)cc2nnc(Nc3ccc(S(=O)(=O)N(C)CCN4CCOCC4)cc3)nc12.Cc1cc(-c2cc(O)ccc2Cl)cc2nnc(Nc3ccc(SCCN4CCCC4)cc3)nc12.Cc1cc(-c2cc(O)ccc2Cl)cc2nnc(Nc3cccc(C(=O)NCCN(C)C)c3)nc12.Cc1cc(-c2cccc(O)c2F)cc2nnc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nc12.Cc1cc(O)cc(C)c1-c1cc(C)c2nc(Nc3ccc(OCCN4CCCC4)cc3)nnc2c1.Cc1cc2nc(Nc3ccc(C(=O)N4CCN(C)CC4)cc3)nnc2cc1-c1cc(O)ccc1Cl.Cc1cc2nc(Nc3ccc(OCCN4CCCC4)cc3)nnc2cc1-c1cc(O)ccc1F
InChIInChI=1S/C28H31ClN6O3S.C28H33ClN6O.C28H31N5O2.C27H29ClN6O4S.C26H27BrN6O3S.C26H27ClN6O3S.C26H25ClN6O2.C26H26ClN5O2.C26H26ClN5OS.2C26H27FN6O3S.C26H26FN5O2.C25H25ClN6O2.C20H22ClN5O/c1-3-35(15-14-34-12-4-5-13-34)39(37,38)23-9-6-21(7-10-23)30-28-31-27-19(2)16-20(17-26(27)32-33-28)24-18-22(36)8-11-25(24)29;1-5-35(6-2)14-13-34(4)18-20-7-9-22(10-8-20)30-28-31-27-19(3)15-21(16-26(27)32-33-28)24-17-23(36)11-12-25(24)29;1-18-15-23(34)16-19(2)26(18)21-14-20(3)27-25(17-21)31-32-28(30-27)29-22-6-8-24(9-7-22)35-13-12-33-10-4-5-11-33;1-18-15-19(23-17-21(35)5-8-24(23)28)16-25-26(18)30-27(32-31-25)29-20-3-6-22(7-4-20)39(36,37)33(2)9-10-34-11-13-38-14-12-34;1-17-14-18(22-16-20(34)6-9-23(22)27)15-24-25(17)30-26(32-31-24)29-19-4-7-21(8-5-19)37(35,36)28-10-13-33-11-2-3-12-33;1-17-15-18(24-21(27)5-4-6-23(24)34)16-22-25(17)30-26(32-31-22)29-19-7-9-20(10-8-19)37(35,36)28-11-14-33-12-2-3-13-33;1-16-13-23-24(15-20(16)21-14-19(34)7-8-22(21)27)30-31-26(29-23)28-18-5-3-17(4-6-18)25(35)33-11-9-32(2)10-12-33;2*1-17-14-18(22-16-20(33)6-9-23(22)27)15-24-25(17)29-26(31-30-24)28-19-4-7-21(8-5-19)34-13-12-32-10-2-3-11-32;1-17-15-18(24-21(27)5-4-6-23(24)34)16-22-25(17)30-26(32-31-22)29-19-7-9-20(10-8-19)37(35,36)28-11-14-33-12-2-3-13-33;1-17-15-18(21-5-4-6-23(34)24(21)27)16-22-25(17)30-26(32-31-22)29-19-7-9-20(10-8-19)37(35,36)28-11-14-33-12-2-3-13-33;1-17-14-24-25(16-21(17)22-15-19(33)6-9-23(22)27)30-31-26(29-24)28-18-4-7-20(8-5-18)34-13-12-32-10-2-3-11-32;1-15-11-17(20-14-19(33)7-8-21(20)26)13-22-23(15)29-25(31-30-22)28-18-6-4-5-16(12-18)24(34)27-9-10-32(2)3;1-13-10-14(16-12-15(27)4-5-17(16)21)11-18-19(13)23-20(25-24-18)22-6-9-26-7-2-3-8-26/h6-11,16-18,36H,3-5,12-15H2,1-2H3,(H,30,31,33);7-12,15-17,36H,5-6,13-14,18H2,1-4H3,(H,30,31,33);6-9,14-17,34H,4-5,10-13H2,1-3H3,(H,29,30,32);3-8,15-17,35H,9-14H2,1-2H3,(H,29,30,32);4-9,14-16,28,34H,2-3,10-13H2,1H3,(H,29,30,32);4-10,15-16,28,34H,2-3,11-14H2,1H3,(H,29,30,32);3-8,13-15,34H,9-12H2,1-2H3,(H,28,29,31);2*4-9,14-16,33H,2-3,10-13H2,1H3,(H,28,29,31);2*4-10,15-16,28,34H,2-3,11-14H2,1H3,(H,29,30,32);4-9,14-16,33H,2-3,10-13H2,1H3,(H,28,29,31);4-8,11-14,33H,9-10H2,1-3H3,(H,27,34)(H,28,29,31);4-5,10-12,27H,2-3,6-9H2,1H3,(H,22,23,25)
InChIKeyBSZIDIMLMPHGHU-UHFFFAOYSA-N
XLogP67.35
TPSA1387.39 Ų
H-Bond Donors33
H-Bond Acceptors104
Rotatable Bonds103
Heavy Atoms495
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5007056.03
LogP ≤ 567.35
H-Bond Donors ≤ 533
H-Bond Acceptors ≤ 10104

Analyze 4-[[7-(2-bromo-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-chloro-3-[3-[4-[[2-(diethylamino)ethyl-methylamino]methyl]anilino]-5-methyl-1,2,4-benzotriazin-7-yl]phenol;3-[[7-(2-chloro-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-[2-(dimethylamino)ethyl]benzamide;4-[[7-(2-chloro-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-ethyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[7-(2-chloro-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide;[4-[[7-(2-chloro-5-hydroxyphenyl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;4-[[7-(2-chloro-6-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenol;4-chloro-3-[5-methyl-3-(2-pyrrolidin-1-ylethylamino)-1,2,4-benzotriazin-7-yl]phenol;4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethylsulfanyl)anilino]-1,2,4-benzotriazin-7-yl]phenol;3,5-dimethyl-4-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenol;4-[[7-(2-fluoro-3-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[7-(2-fluoro-6-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-fluoro-3-[6-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[7-(2-bromo-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-chloro-3-[3-[4-[[2-(diethylamino)ethyl-methylamino]methyl]anilino]-5-methyl-1,2,4-benzotriazin-7-yl]phenol;3-[[7-(2-chloro-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-[2-(dimethylamino)ethyl]benzamide;4-[[7-(2-chloro-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-ethyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[7-(2-chloro-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide;[4-[[7-(2-chloro-5-hydroxyphenyl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;4-[[7-(2-chloro-6-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenol;4-chloro-3-[5-methyl-3-(2-pyrrolidin-1-ylethylamino)-1,2,4-benzotriazin-7-yl]phenol;4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethylsulfanyl)anilino]-1,2,4-benzotriazin-7-yl]phenol;3,5-dimethyl-4-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenol;4-[[7-(2-fluoro-3-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[7-(2-fluoro-6-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-fluoro-3-[6-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenol?
The IUPAC name of 4-[[7-(2-bromo-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-chloro-3-[3-[4-[[2-(diethylamino)ethyl-methylamino]methyl]anilino]-5-methyl-1,2,4-benzotriazin-7-yl]phenol;3-[[7-(2-chloro-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-[2-(dimethylamino)ethyl]benzamide;4-[[7-(2-chloro-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-ethyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[7-(2-chloro-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide;[4-[[7-(2-chloro-5-hydroxyphenyl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;4-[[7-(2-chloro-6-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenol;4-chloro-3-[5-methyl-3-(2-pyrrolidin-1-ylethylamino)-1,2,4-benzotriazin-7-yl]phenol;4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethylsulfanyl)anilino]-1,2,4-benzotriazin-7-yl]phenol;3,5-dimethyl-4-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenol;4-[[7-(2-fluoro-3-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[7-(2-fluoro-6-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-fluoro-3-[6-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenol (CID 157452739) is 4-[[7-(2-bromo-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-chloro-3-[3-[4-[[2-(diethylamino)ethyl-methylamino]methyl]anilino]-5-methyl-1,2,4-benzotriazin-7-yl]phenol;3-[[7-(2-chloro-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-[2-(dimethylamino)ethyl]benzamide;4-[[7-(2-chloro-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-ethyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[7-(2-chloro-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide;[4-[[7-(2-chloro-5-hydroxyphenyl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;4-[[7-(2-chloro-6-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenol;4-chloro-3-[5-methyl-3-(2-pyrrolidin-1-ylethylamino)-1,2,4-benzotriazin-7-yl]phenol;4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethylsulfanyl)anilino]-1,2,4-benzotriazin-7-yl]phenol;3,5-dimethyl-4-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenol;4-[[7-(2-fluoro-3-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[7-(2-fluoro-6-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-fluoro-3-[6-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenol.
What is the SMILES notation for 4-[[7-(2-bromo-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-chloro-3-[3-[4-[[2-(diethylamino)ethyl-methylamino]methyl]anilino]-5-methyl-1,2,4-benzotriazin-7-yl]phenol;3-[[7-(2-chloro-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-[2-(dimethylamino)ethyl]benzamide;4-[[7-(2-chloro-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-ethyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[7-(2-chloro-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide;[4-[[7-(2-chloro-5-hydroxyphenyl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;4-[[7-(2-chloro-6-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenol;4-chloro-3-[5-methyl-3-(2-pyrrolidin-1-ylethylamino)-1,2,4-benzotriazin-7-yl]phenol;4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethylsulfanyl)anilino]-1,2,4-benzotriazin-7-yl]phenol;3,5-dimethyl-4-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenol;4-[[7-(2-fluoro-3-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[7-(2-fluoro-6-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-fluoro-3-[6-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenol?
The canonical SMILES for 4-[[7-(2-bromo-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-chloro-3-[3-[4-[[2-(diethylamino)ethyl-methylamino]methyl]anilino]-5-methyl-1,2,4-benzotriazin-7-yl]phenol;3-[[7-(2-chloro-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-[2-(dimethylamino)ethyl]benzamide;4-[[7-(2-chloro-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-ethyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[7-(2-chloro-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide;[4-[[7-(2-chloro-5-hydroxyphenyl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;4-[[7-(2-chloro-6-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenol;4-chloro-3-[5-methyl-3-(2-pyrrolidin-1-ylethylamino)-1,2,4-benzotriazin-7-yl]phenol;4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethylsulfanyl)anilino]-1,2,4-benzotriazin-7-yl]phenol;3,5-dimethyl-4-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenol;4-[[7-(2-fluoro-3-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[7-(2-fluoro-6-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-fluoro-3-[6-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenol is CCN(CC)CCN(C)Cc1ccc(Nc2nnc3cc(-c4cc(O)ccc4Cl)cc(C)c3n2)cc1.CCN(CCN1CCCC1)S(=O)(=O)c1ccc(Nc2nnc3cc(-c4cc(O)ccc4Cl)cc(C)c3n2)cc1.Cc1cc(-c2c(O)cccc2Cl)cc2nnc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nc12.Cc1cc(-c2c(O)cccc2F)cc2nnc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nc12.Cc1cc(-c2cc(O)ccc2Br)cc2nnc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nc12.Cc1cc(-c2cc(O)ccc2Cl)cc2nnc(NCCN3CCCC3)nc12.Cc1cc(-c2cc(O)ccc2Cl)cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12.Cc1cc(-c2cc(O)ccc2Cl)cc2nnc(Nc3ccc(S(=O)(=O)N(C)CCN4CCOCC4)cc3)nc12.Cc1cc(-c2cc(O)ccc2Cl)cc2nnc(Nc3ccc(SCCN4CCCC4)cc3)nc12.Cc1cc(-c2cc(O)ccc2Cl)cc2nnc(Nc3cccc(C(=O)NCCN(C)C)c3)nc12.Cc1cc(-c2cccc(O)c2F)cc2nnc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nc12.Cc1cc(O)cc(C)c1-c1cc(C)c2nc(Nc3ccc(OCCN4CCCC4)cc3)nnc2c1.Cc1cc2nc(Nc3ccc(C(=O)N4CCN(C)CC4)cc3)nnc2cc1-c1cc(O)ccc1Cl.Cc1cc2nc(Nc3ccc(OCCN4CCCC4)cc3)nnc2cc1-c1cc(O)ccc1F.
What is the InChIKey of 4-[[7-(2-bromo-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-chloro-3-[3-[4-[[2-(diethylamino)ethyl-methylamino]methyl]anilino]-5-methyl-1,2,4-benzotriazin-7-yl]phenol;3-[[7-(2-chloro-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-[2-(dimethylamino)ethyl]benzamide;4-[[7-(2-chloro-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-ethyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[7-(2-chloro-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide;[4-[[7-(2-chloro-5-hydroxyphenyl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;4-[[7-(2-chloro-6-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenol;4-chloro-3-[5-methyl-3-(2-pyrrolidin-1-ylethylamino)-1,2,4-benzotriazin-7-yl]phenol;4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethylsulfanyl)anilino]-1,2,4-benzotriazin-7-yl]phenol;3,5-dimethyl-4-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenol;4-[[7-(2-fluoro-3-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[7-(2-fluoro-6-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-fluoro-3-[6-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenol?
The InChIKey is BSZIDIMLMPHGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31ClN6O3S.C28H33ClN6O.C28H31N5O2.C27H29ClN6O4S.C26H27BrN6O3S.C26H27ClN6O3S.C26H25ClN6O2.C26H26ClN5O2.C26H26ClN5OS.2C26H27FN6O3S.C26H26FN5O2.C25H25ClN6O2.C20H22ClN5O/c1-3-35(15-14-34-12-4-5-13-34)39(37,38)23-9-6-21(7-10-23)30-28-31-27-19(2)16-20(17-26(27)32-33-28)24-18-22(36)8-11-25(24)29;1-5-35(6-2)14-13-34(4)18-20-7-9-22(10-8-20)30-28-31-27-19(3)15-21(16-26(27)32-33-28)24-17-23(36)11-12-25(24)29;1-18-15-23(34)16-19(2)26(18)21-14-20(3)27-25(17-21)31-32-28(30-27)29-22-6-8-24(9-7-22)35-13-12-33-10-4-5-11-33;1-18-15-19(23-17-21(35)5-8-24(23)28)16-25-26(18)30-27(32-31-25)29-20-3-6-22(7-4-20)39(36,37)33(2)9-10-34-11-13-38-14-12-34;1-17-14-18(22-16-20(34)6-9-23(22)27)15-24-25(17)30-26(32-31-24)29-19-4-7-21(8-5-19)37(35,36)28-10-13-33-11-2-3-12-33;1-17-15-18(24-21(27)5-4-6-23(24)34)16-22-25(17)30-26(32-31-22)29-19-7-9-20(10-8-19)37(35,36)28-11-14-33-12-2-3-13-33;1-16-13-23-24(15-20(16)21-14-19(34)7-8-22(21)27)30-31-26(29-23)28-18-5-3-17(4-6-18)25(35)33-11-9-32(2)10-12-33;2*1-17-14-18(22-16-20(33)6-9-23(22)27)15-24-25(17)29-26(31-30-24)28-19-4-7-21(8-5-19)34-13-12-32-10-2-3-11-32;1-17-15-18(24-21(27)5-4-6-23(24)34)16-22-25(17)30-26(32-31-22)29-19-7-9-20(10-8-19)37(35,36)28-11-14-33-12-2-3-13-33;1-17-15-18(21-5-4-6-23(34)24(21)27)16-22-25(17)30-26(32-31-22)29-19-7-9-20(10-8-19)37(35,36)28-11-14-33-12-2-3-13-33;1-17-14-24-25(16-21(17)22-15-19(33)6-9-23(22)27)30-31-26(29-24)28-18-4-7-20(8-5-18)34-13-12-32-10-2-3-11-32;1-15-11-17(20-14-19(33)7-8-21(20)26)13-22-23(15)29-25(31-30-22)28-18-6-4-5-16(12-18)24(34)27-9-10-32(2)3;1-13-10-14(16-12-15(27)4-5-17(16)21)11-18-19(13)23-20(25-24-18)22-6-9-26-7-2-3-8-26/h6-11,16-18,36H,3-5,12-15H2,1-2H3,(H,30,31,33);7-12,15-17,36H,5-6,13-14,18H2,1-4H3,(H,30,31,33);6-9,14-17,34H,4-5,10-13H2,1-3H3,(H,29,30,32);3-8,15-17,35H,9-14H2,1-2H3,(H,29,30,32);4-9,14-16,28,34H,2-3,10-13H2,1H3,(H,29,30,32);4-10,15-16,28,34H,2-3,11-14H2,1H3,(H,29,30,32);3-8,13-15,34H,9-12H2,1-2H3,(H,28,29,31);2*4-9,14-16,33H,2-3,10-13H2,1H3,(H,28,29,31);2*4-10,15-16,28,34H,2-3,11-14H2,1H3,(H,29,30,32);4-9,14-16,33H,2-3,10-13H2,1H3,(H,28,29,31);4-8,11-14,33H,9-10H2,1-3H3,(H,27,34)(H,28,29,31);4-5,10-12,27H,2-3,6-9H2,1H3,(H,22,23,25).
What are the key properties of 4-[[7-(2-bromo-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-chloro-3-[3-[4-[[2-(diethylamino)ethyl-methylamino]methyl]anilino]-5-methyl-1,2,4-benzotriazin-7-yl]phenol;3-[[7-(2-chloro-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-[2-(dimethylamino)ethyl]benzamide;4-[[7-(2-chloro-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-ethyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[7-(2-chloro-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide;[4-[[7-(2-chloro-5-hydroxyphenyl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;4-[[7-(2-chloro-6-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenol;4-chloro-3-[5-methyl-3-(2-pyrrolidin-1-ylethylamino)-1,2,4-benzotriazin-7-yl]phenol;4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethylsulfanyl)anilino]-1,2,4-benzotriazin-7-yl]phenol;3,5-dimethyl-4-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenol;4-[[7-(2-fluoro-3-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[7-(2-fluoro-6-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-fluoro-3-[6-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenol?
4-[[7-(2-bromo-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-chloro-3-[3-[4-[[2-(diethylamino)ethyl-methylamino]methyl]anilino]-5-methyl-1,2,4-benzotriazin-7-yl]phenol;3-[[7-(2-chloro-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-[2-(dimethylamino)ethyl]benzamide;4-[[7-(2-chloro-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-ethyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[7-(2-chloro-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide;[4-[[7-(2-chloro-5-hydroxyphenyl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;4-[[7-(2-chloro-6-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenol;4-chloro-3-[5-methyl-3-(2-pyrrolidin-1-ylethylamino)-1,2,4-benzotriazin-7-yl]phenol;4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethylsulfanyl)anilino]-1,2,4-benzotriazin-7-yl]phenol;3,5-dimethyl-4-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenol;4-[[7-(2-fluoro-3-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[7-(2-fluoro-6-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-fluoro-3-[6-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenol has a molecular weight of 7056.03 g/mol, XLogP of 67.35, 103 rotatable bonds, 33 hydrogen bond donors, and 104 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[7-(2-bromo-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-chloro-3-[3-[4-[[2-(diethylamino)ethyl-methylamino]methyl]anilino]-5-methyl-1,2,4-benzotriazin-7-yl]phenol;3-[[7-(2-chloro-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-[2-(dimethylamino)ethyl]benzamide;4-[[7-(2-chloro-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-ethyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[7-(2-chloro-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide;[4-[[7-(2-chloro-5-hydroxyphenyl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;4-[[7-(2-chloro-6-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenol;4-chloro-3-[5-methyl-3-(2-pyrrolidin-1-ylethylamino)-1,2,4-benzotriazin-7-yl]phenol;4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethylsulfanyl)anilino]-1,2,4-benzotriazin-7-yl]phenol;3,5-dimethyl-4-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenol;4-[[7-(2-fluoro-3-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[7-(2-fluoro-6-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-fluoro-3-[6-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenol is sourced from PubChem (CID 157452739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).