1-tert-butyl-3-[7-(2-methylphenyl)-3-[4-(2-pyrrolidin-1-ylethylsulfamoyl)anilino]-1,2,4-benzotriazin-6-yl]urea;2-[[7-(2,6-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide;5-[[7-(2,6-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-1-(3-pyrrolidin-1-ylpropyl)pyridin-2-one;7-(2,6-dimethylphenyl)-5-methyl-N-[2-(2-pyrrolidin-1-ylethoxy)-4-pyridinyl]-1,2,4-benzotriazin-3-amine;7-(2,6-dimethylphenyl)-5-nitro-1-oxido-1,2,4-benzotriazin-1-ium-3-amine;N-[7-(2,6-dimethylphenyl)-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-5-yl]acetamide;N-[7-(2,6-dimethylphenyl)-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-5-yl]methanesulfonamide;4-[[6-ethoxy-7-(2-methylphenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[6-(2-hydroxyethoxy)-7-(2-methylphenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[6-hydroxy-7-(2-methylphenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[6-methoxy-7-(2-methylphenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;N-[7-(2-methylphenyl)-3-[4-(2-pyrrolidin-1-ylethylsulfamoyl)anilino]-1,2,4-benzotriazin-6-yl]acetamide

C321H359N75O30S8 — CID 158134143

IUPAC1-tert-butyl-3-[7-(2-methylphenyl)-3-[4-(2-pyrrolidin-1-ylethylsulfamoyl)anilino]-1,2,4-benzotriazin-6-yl]urea;2-[[7-(2,6-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide;5-[[7-(2,6-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-1-(3-pyrrolidin-1-ylpropyl)pyridin-2-one;7-(2,6-dimethylphenyl)-5-methyl-N-[2-(2-pyrrolidin-1-ylethoxy)-4-pyridinyl]-1,2,4-benzotriazin-3-amine;7-(2,6-dimethylphenyl)-5-nitro-1-oxido-1,2,4-benzotriazin-1-ium-3-amine;N-[7-(2,6-dimethylphenyl)-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-5-yl]acetamide;N-[7-(2,6-dimethylphenyl)-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-5-yl]methanesulfonamide;4-[[6-ethoxy-7-(2-methylphenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[6-(2-hydroxyethoxy)-7-(2-methylphenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[6-hydroxy-7-(2-methylphenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[6-methoxy-7-(2-methylphenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;N-[7-(2-methylphenyl)-3-[4-(2-pyrrolidin-1-ylethylsulfamoyl)anilino]-1,2,4-benzotriazin-6-yl]acetamide
SMILESCC(=O)Nc1cc(-c2c(C)cccc2C)cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12.CC(=O)Nc1cc2nc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nnc2cc1-c1ccccc1C.CCOc1cc2nc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nnc2cc1-c1ccccc1C.COc1cc2nc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nnc2cc1-c1ccccc1C.Cc1cccc(C)c1-c1cc(C)c2nc(Nc3ccc(=O)n(CCCN4CCCC4)c3)nnc2c1.Cc1cccc(C)c1-c1cc(C)c2nc(Nc3ccnc(OCCN4CCCC4)c3)nnc2c1.Cc1cccc(C)c1-c1cc(C)c2nc(Nc3nc(C(=O)NCCN4CCCC4)cs3)nnc2c1.Cc1cccc(C)c1-c1cc(NS(C)(=O)=O)c2nc(Nc3ccc(OCCN4CCCC4)cc3)nnc2c1.Cc1cccc(C)c1-c1cc([N+](=O)[O-])c2nc(N)n[n+]([O-])c2c1.Cc1ccccc1-c1cc2nnc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nc2cc1NC(=O)NC(C)(C)C.Cc1ccccc1-c1cc2nnc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nc2cc1O.Cc1ccccc1-c1cc2nnc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nc2cc1OCCO
InChIInChI=1S/C31H38N8O3S.C29H32N6O2.C28H31N7O3S.C28H32N6O4S.2C28H32N6O3S.C28H32N6O.C27H30N6O3S.C27H30N6O.C26H29N7OS.C26H28N6O3S.C15H13N5O3/c1-21-9-5-6-10-24(21)25-19-28-27(20-26(25)35-30(40)36-31(2,3)4)34-29(38-37-28)33-22-11-13-23(14-12-22)43(41,42)32-15-18-39-16-7-8-17-39;1-19-7-6-8-20(2)27(19)22-17-25(30-21(3)36)28-26(18-22)33-34-29(32-28)31-23-9-11-24(12-10-23)37-16-15-35-13-4-5-14-35;1-19-7-3-4-8-23(19)24-17-27-26(18-25(24)30-20(2)36)32-28(34-33-27)31-21-9-11-22(12-10-21)39(37,38)29-13-16-35-14-5-6-15-35;1-20-6-2-3-7-23(20)24-18-26-25(19-27(24)38-17-16-35)31-28(33-32-26)30-21-8-10-22(11-9-21)39(36,37)29-12-15-34-13-4-5-14-34;1-19-7-6-8-20(2)26(19)21-17-24-27(25(18-21)33-38(3,35)36)30-28(32-31-24)29-22-9-11-23(12-10-22)37-16-15-34-13-4-5-14-34;1-3-37-27-19-25-26(18-24(27)23-9-5-4-8-20(23)2)32-33-28(31-25)30-21-10-12-22(13-11-21)38(35,36)29-14-17-34-15-6-7-16-34;1-19-8-6-9-20(2)26(19)22-16-21(3)27-24(17-22)31-32-28(30-27)29-23-10-11-25(35)34(18-23)15-7-14-33-12-4-5-13-33;1-19-7-3-4-8-22(19)23-17-25-24(18-26(23)36-2)30-27(32-31-25)29-20-9-11-21(12-10-20)37(34,35)28-13-16-33-14-5-6-15-33;1-18-7-6-8-19(2)25(18)21-15-20(3)26-23(16-21)31-32-27(30-26)29-22-9-10-28-24(17-22)34-14-13-33-11-4-5-12-33;1-16-7-6-8-17(2)22(16)19-13-18(3)23-20(14-19)31-32-25(29-23)30-26-28-21(15-35-26)24(34)27-9-12-33-10-4-5-11-33;1-18-6-2-3-7-21(18)22-16-24-23(17-25(22)33)29-26(31-30-24)28-19-8-10-20(11-9-19)36(34,35)27-12-15-32-13-4-5-14-32;1-8-4-3-5-9(2)13(8)10-6-11-14(12(7-10)20(22)23)17-15(16)18-19(11)21/h5-6,9-14,19-20,32H,7-8,15-18H2,1-4H3,(H,33,34,38)(H2,35,36,40);6-12,17-18H,4-5,13-16H2,1-3H3,(H,30,36)(H,31,32,34);3-4,7-12,17-18,29H,5-6,13-16H2,1-2H3,(H,30,36)(H,31,32,34);2-3,6-11,18-19,29,35H,4-5,12-17H2,1H3,(H,30,31,33);6-12,17-18,33H,4-5,13-16H2,1-3H3,(H,29,30,32);4-5,8-13,18-19,29H,3,6-7,14-17H2,1-2H3,(H,30,31,33);6,8-11,16-18H,4-5,7,12-15H2,1-3H3,(H,29,30,32);3-4,7-12,17-18,28H,5-6,13-16H2,1-2H3,(H,29,30,32);6-10,15-17H,4-5,11-14H2,1-3H3,(H,28,29,30,32);6-8,13-15H,4-5,9-12H2,1-3H3,(H,27,34)(H,28,29,30,32);2-3,6-11,16-17,27,33H,4-5,12-15H2,1H3,(H,28,29,31);3-7H,1-2H3,(H2,16,17,18)
InChIKeyFTDFYKVGVPOOPV-UHFFFAOYSA-N
MW6004.43 g/mol
LogP52.37
Rot. Bonds96

About 1-tert-butyl-3-[7-(2-methylphenyl)-3-[4-(2-pyrrolidin-1-ylethylsulfamoyl)anilino]-1,2,4-benzotriazin-6-yl]urea;2-[[7-(2,6-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide;5-[[7-(2,6-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-1-(3-pyrrolidin-1-ylpropyl)pyridin-2-one;7-(2,6-dimethylphenyl)-5-methyl-N-[2-(2-pyrrolidin-1-ylethoxy)-4-pyridinyl]-1,2,4-benzotriazin-3-amine;7-(2,6-dimethylphenyl)-5-nitro-1-oxido-1,2,4-benzotriazin-1-ium-3-amine;N-[7-(2,6-dimethylphenyl)-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-5-yl]acetamide;N-[7-(2,6-dimethylphenyl)-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-5-yl]methanesulfonamide;4-[[6-ethoxy-7-(2-methylphenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[6-(2-hydroxyethoxy)-7-(2-methylphenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[6-hydroxy-7-(2-methylphenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[6-methoxy-7-(2-methylphenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;N-[7-(2-methylphenyl)-3-[4-(2-pyrrolidin-1-ylethylsulfamoyl)anilino]-1,2,4-benzotriazin-6-yl]acetamide

1-tert-butyl-3-[7-(2-methylphenyl)-3-[4-(2-pyrrolidin-1-ylethylsulfamoyl)anilino]-1,2,4-benzotriazin-6-yl]urea;2-[[7-(2,6-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide;5-[[7-(2,6-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-1-(3-pyrrolidin-1-ylpropyl)pyridin-2-one;7-(2,6-dimethylphenyl)-5-methyl-N-[2-(2-pyrrolidin-1-ylethoxy)-4-pyridinyl]-1,2,4-benzotriazin-3-amine;7-(2,6-dimethylphenyl)-5-nitro-1-oxido-1,2,4-benzotriazin-1-ium-3-amine;N-[7-(2,6-dimethylphenyl)-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-5-yl]acetamide;N-[7-(2,6-dimethylphenyl)-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-5-yl]methanesulfonamide;4-[[6-ethoxy-7-(2-methylphenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[6-(2-hydroxyethoxy)-7-(2-methylphenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[6-hydroxy-7-(2-methylphenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[6-methoxy-7-(2-methylphenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;N-[7-(2-methylphenyl)-3-[4-(2-pyrrolidin-1-ylethylsulfamoyl)anilino]-1,2,4-benzotriazin-6-yl]acetamide (PubChem CID 158134143) has the molecular formula C321H359N75O30S8 and a molecular weight of 6004.43 g/mol. Its IUPAC name is 1-tert-butyl-3-[7-(2-methylphenyl)-3-[4-(2-pyrrolidin-1-ylethylsulfamoyl)anilino]-1,2,4-benzotriazin-6-yl]urea;2-[[7-(2,6-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide;5-[[7-(2,6-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-1-(3-pyrrolidin-1-ylpropyl)pyridin-2-one;7-(2,6-dimethylphenyl)-5-methyl-N-[2-(2-pyrrolidin-1-ylethoxy)-4-pyridinyl]-1,2,4-benzotriazin-3-amine;7-(2,6-dimethylphenyl)-5-nitro-1-oxido-1,2,4-benzotriazin-1-ium-3-amine;N-[7-(2,6-dimethylphenyl)-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-5-yl]acetamide;N-[7-(2,6-dimethylphenyl)-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-5-yl]methanesulfonamide;4-[[6-ethoxy-7-(2-methylphenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[6-(2-hydroxyethoxy)-7-(2-methylphenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[6-hydroxy-7-(2-methylphenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[6-methoxy-7-(2-methylphenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;N-[7-(2-methylphenyl)-3-[4-(2-pyrrolidin-1-ylethylsulfamoyl)anilino]-1,2,4-benzotriazin-6-yl]acetamide.

Molecular Properties

Compound Name1-tert-butyl-3-[7-(2-methylphenyl)-3-[4-(2-pyrrolidin-1-ylethylsulfamoyl)anilino]-1,2,4-benzotriazin-6-yl]urea;2-[[7-(2,6-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide;5-[[7-(2,6-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-1-(3-pyrrolidin-1-ylpropyl)pyridin-2-one;7-(2,6-dimethylphenyl)-5-methyl-N-[2-(2-pyrrolidin-1-ylethoxy)-4-pyridinyl]-1,2,4-benzotriazin-3-amine;7-(2,6-dimethylphenyl)-5-nitro-1-oxido-1,2,4-benzotriazin-1-ium-3-amine;N-[7-(2,6-dimethylphenyl)-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-5-yl]acetamide;N-[7-(2,6-dimethylphenyl)-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-5-yl]methanesulfonamide;4-[[6-ethoxy-7-(2-methylphenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[6-(2-hydroxyethoxy)-7-(2-methylphenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[6-hydroxy-7-(2-methylphenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[6-methoxy-7-(2-methylphenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;N-[7-(2-methylphenyl)-3-[4-(2-pyrrolidin-1-ylethylsulfamoyl)anilino]-1,2,4-benzotriazin-6-yl]acetamide
PubChem CID158134143
Molecular FormulaC321H359N75O30S8
Molecular Weight6004.43 g/mol
Exact Mass5999.66
IUPAC Name1-tert-butyl-3-[7-(2-methylphenyl)-3-[4-(2-pyrrolidin-1-ylethylsulfamoyl)anilino]-1,2,4-benzotriazin-6-yl]urea;2-[[7-(2,6-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide;5-[[7-(2,6-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-1-(3-pyrrolidin-1-ylpropyl)pyridin-2-one;7-(2,6-dimethylphenyl)-5-methyl-N-[2-(2-pyrrolidin-1-ylethoxy)-4-pyridinyl]-1,2,4-benzotriazin-3-amine;7-(2,6-dimethylphenyl)-5-nitro-1-oxido-1,2,4-benzotriazin-1-ium-3-amine;N-[7-(2,6-dimethylphenyl)-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-5-yl]acetamide;N-[7-(2,6-dimethylphenyl)-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-5-yl]methanesulfonamide;4-[[6-ethoxy-7-(2-methylphenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[6-(2-hydroxyethoxy)-7-(2-methylphenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[6-hydroxy-7-(2-methylphenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[6-methoxy-7-(2-methylphenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;N-[7-(2-methylphenyl)-3-[4-(2-pyrrolidin-1-ylethylsulfamoyl)anilino]-1,2,4-benzotriazin-6-yl]acetamide
SMILESCC(=O)Nc1cc(-c2c(C)cccc2C)cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12.CC(=O)Nc1cc2nc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nnc2cc1-c1ccccc1C.CCOc1cc2nc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nnc2cc1-c1ccccc1C.COc1cc2nc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nnc2cc1-c1ccccc1C.Cc1cccc(C)c1-c1cc(C)c2nc(Nc3ccc(=O)n(CCCN4CCCC4)c3)nnc2c1.Cc1cccc(C)c1-c1cc(C)c2nc(Nc3ccnc(OCCN4CCCC4)c3)nnc2c1.Cc1cccc(C)c1-c1cc(C)c2nc(Nc3nc(C(=O)NCCN4CCCC4)cs3)nnc2c1.Cc1cccc(C)c1-c1cc(NS(C)(=O)=O)c2nc(Nc3ccc(OCCN4CCCC4)cc3)nnc2c1.Cc1cccc(C)c1-c1cc([N+](=O)[O-])c2nc(N)n[n+]([O-])c2c1.Cc1ccccc1-c1cc2nnc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nc2cc1NC(=O)NC(C)(C)C.Cc1ccccc1-c1cc2nnc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nc2cc1O.Cc1ccccc1-c1cc2nnc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nc2cc1OCCO
InChIInChI=1S/C31H38N8O3S.C29H32N6O2.C28H31N7O3S.C28H32N6O4S.2C28H32N6O3S.C28H32N6O.C27H30N6O3S.C27H30N6O.C26H29N7OS.C26H28N6O3S.C15H13N5O3/c1-21-9-5-6-10-24(21)25-19-28-27(20-26(25)35-30(40)36-31(2,3)4)34-29(38-37-28)33-22-11-13-23(14-12-22)43(41,42)32-15-18-39-16-7-8-17-39;1-19-7-6-8-20(2)27(19)22-17-25(30-21(3)36)28-26(18-22)33-34-29(32-28)31-23-9-11-24(12-10-23)37-16-15-35-13-4-5-14-35;1-19-7-3-4-8-23(19)24-17-27-26(18-25(24)30-20(2)36)32-28(34-33-27)31-21-9-11-22(12-10-21)39(37,38)29-13-16-35-14-5-6-15-35;1-20-6-2-3-7-23(20)24-18-26-25(19-27(24)38-17-16-35)31-28(33-32-26)30-21-8-10-22(11-9-21)39(36,37)29-12-15-34-13-4-5-14-34;1-19-7-6-8-20(2)26(19)21-17-24-27(25(18-21)33-38(3,35)36)30-28(32-31-24)29-22-9-11-23(12-10-22)37-16-15-34-13-4-5-14-34;1-3-37-27-19-25-26(18-24(27)23-9-5-4-8-20(23)2)32-33-28(31-25)30-21-10-12-22(13-11-21)38(35,36)29-14-17-34-15-6-7-16-34;1-19-8-6-9-20(2)26(19)22-16-21(3)27-24(17-22)31-32-28(30-27)29-23-10-11-25(35)34(18-23)15-7-14-33-12-4-5-13-33;1-19-7-3-4-8-22(19)23-17-25-24(18-26(23)36-2)30-27(32-31-25)29-20-9-11-21(12-10-20)37(34,35)28-13-16-33-14-5-6-15-33;1-18-7-6-8-19(2)25(18)21-15-20(3)26-23(16-21)31-32-27(30-26)29-22-9-10-28-24(17-22)34-14-13-33-11-4-5-12-33;1-16-7-6-8-17(2)22(16)19-13-18(3)23-20(14-19)31-32-25(29-23)30-26-28-21(15-35-26)24(34)27-9-12-33-10-4-5-11-33;1-18-6-2-3-7-21(18)22-16-24-23(17-25(22)33)29-26(31-30-24)28-19-8-10-20(11-9-19)36(34,35)27-12-15-32-13-4-5-14-32;1-8-4-3-5-9(2)13(8)10-6-11-14(12(7-10)20(22)23)17-15(16)18-19(11)21/h5-6,9-14,19-20,32H,7-8,15-18H2,1-4H3,(H,33,34,38)(H2,35,36,40);6-12,17-18H,4-5,13-16H2,1-3H3,(H,30,36)(H,31,32,34);3-4,7-12,17-18,29H,5-6,13-16H2,1-2H3,(H,30,36)(H,31,32,34);2-3,6-11,18-19,29,35H,4-5,12-17H2,1H3,(H,30,31,33);6-12,17-18,33H,4-5,13-16H2,1-3H3,(H,29,30,32);4-5,8-13,18-19,29H,3,6-7,14-17H2,1-2H3,(H,30,31,33);6,8-11,16-18H,4-5,7,12-15H2,1-3H3,(H,29,30,32);3-4,7-12,17-18,28H,5-6,13-16H2,1-2H3,(H,29,30,32);6-10,15-17H,4-5,11-14H2,1-3H3,(H,28,29,30,32);6-8,13-15H,4-5,9-12H2,1-3H3,(H,27,34)(H,28,29,30,32);2-3,6-11,16-17,27,33H,4-5,12-15H2,1H3,(H,28,29,31);3-7H,1-2H3,(H2,16,17,18)
InChIKeyFTDFYKVGVPOOPV-UHFFFAOYSA-N
XLogP52.37
TPSA1310.46 Ų
H-Bond Donors26
H-Bond Acceptors92
Rotatable Bonds96
Heavy Atoms434
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5006004.43
LogP ≤ 552.37
H-Bond Donors ≤ 526
H-Bond Acceptors ≤ 1092

Analyze 1-tert-butyl-3-[7-(2-methylphenyl)-3-[4-(2-pyrrolidin-1-ylethylsulfamoyl)anilino]-1,2,4-benzotriazin-6-yl]urea;2-[[7-(2,6-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide;5-[[7-(2,6-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-1-(3-pyrrolidin-1-ylpropyl)pyridin-2-one;7-(2,6-dimethylphenyl)-5-methyl-N-[2-(2-pyrrolidin-1-ylethoxy)-4-pyridinyl]-1,2,4-benzotriazin-3-amine;7-(2,6-dimethylphenyl)-5-nitro-1-oxido-1,2,4-benzotriazin-1-ium-3-amine;N-[7-(2,6-dimethylphenyl)-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-5-yl]acetamide;N-[7-(2,6-dimethylphenyl)-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-5-yl]methanesulfonamide;4-[[6-ethoxy-7-(2-methylphenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[6-(2-hydroxyethoxy)-7-(2-methylphenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[6-hydroxy-7-(2-methylphenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[6-methoxy-7-(2-methylphenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;N-[7-(2-methylphenyl)-3-[4-(2-pyrrolidin-1-ylethylsulfamoyl)anilino]-1,2,4-benzotriazin-6-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[7-(2-methylphenyl)-3-[4-(2-pyrrolidin-1-ylethylsulfamoyl)anilino]-1,2,4-benzotriazin-6-yl]urea;2-[[7-(2,6-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide;5-[[7-(2,6-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-1-(3-pyrrolidin-1-ylpropyl)pyridin-2-one;7-(2,6-dimethylphenyl)-5-methyl-N-[2-(2-pyrrolidin-1-ylethoxy)-4-pyridinyl]-1,2,4-benzotriazin-3-amine;7-(2,6-dimethylphenyl)-5-nitro-1-oxido-1,2,4-benzotriazin-1-ium-3-amine;N-[7-(2,6-dimethylphenyl)-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-5-yl]acetamide;N-[7-(2,6-dimethylphenyl)-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-5-yl]methanesulfonamide;4-[[6-ethoxy-7-(2-methylphenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[6-(2-hydroxyethoxy)-7-(2-methylphenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[6-hydroxy-7-(2-methylphenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[6-methoxy-7-(2-methylphenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;N-[7-(2-methylphenyl)-3-[4-(2-pyrrolidin-1-ylethylsulfamoyl)anilino]-1,2,4-benzotriazin-6-yl]acetamide?
The IUPAC name of 1-tert-butyl-3-[7-(2-methylphenyl)-3-[4-(2-pyrrolidin-1-ylethylsulfamoyl)anilino]-1,2,4-benzotriazin-6-yl]urea;2-[[7-(2,6-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide;5-[[7-(2,6-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-1-(3-pyrrolidin-1-ylpropyl)pyridin-2-one;7-(2,6-dimethylphenyl)-5-methyl-N-[2-(2-pyrrolidin-1-ylethoxy)-4-pyridinyl]-1,2,4-benzotriazin-3-amine;7-(2,6-dimethylphenyl)-5-nitro-1-oxido-1,2,4-benzotriazin-1-ium-3-amine;N-[7-(2,6-dimethylphenyl)-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-5-yl]acetamide;N-[7-(2,6-dimethylphenyl)-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-5-yl]methanesulfonamide;4-[[6-ethoxy-7-(2-methylphenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[6-(2-hydroxyethoxy)-7-(2-methylphenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[6-hydroxy-7-(2-methylphenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[6-methoxy-7-(2-methylphenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;N-[7-(2-methylphenyl)-3-[4-(2-pyrrolidin-1-ylethylsulfamoyl)anilino]-1,2,4-benzotriazin-6-yl]acetamide (CID 158134143) is 1-tert-butyl-3-[7-(2-methylphenyl)-3-[4-(2-pyrrolidin-1-ylethylsulfamoyl)anilino]-1,2,4-benzotriazin-6-yl]urea;2-[[7-(2,6-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide;5-[[7-(2,6-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-1-(3-pyrrolidin-1-ylpropyl)pyridin-2-one;7-(2,6-dimethylphenyl)-5-methyl-N-[2-(2-pyrrolidin-1-ylethoxy)-4-pyridinyl]-1,2,4-benzotriazin-3-amine;7-(2,6-dimethylphenyl)-5-nitro-1-oxido-1,2,4-benzotriazin-1-ium-3-amine;N-[7-(2,6-dimethylphenyl)-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-5-yl]acetamide;N-[7-(2,6-dimethylphenyl)-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-5-yl]methanesulfonamide;4-[[6-ethoxy-7-(2-methylphenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[6-(2-hydroxyethoxy)-7-(2-methylphenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[6-hydroxy-7-(2-methylphenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[6-methoxy-7-(2-methylphenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;N-[7-(2-methylphenyl)-3-[4-(2-pyrrolidin-1-ylethylsulfamoyl)anilino]-1,2,4-benzotriazin-6-yl]acetamide.
What is the SMILES notation for 1-tert-butyl-3-[7-(2-methylphenyl)-3-[4-(2-pyrrolidin-1-ylethylsulfamoyl)anilino]-1,2,4-benzotriazin-6-yl]urea;2-[[7-(2,6-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide;5-[[7-(2,6-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-1-(3-pyrrolidin-1-ylpropyl)pyridin-2-one;7-(2,6-dimethylphenyl)-5-methyl-N-[2-(2-pyrrolidin-1-ylethoxy)-4-pyridinyl]-1,2,4-benzotriazin-3-amine;7-(2,6-dimethylphenyl)-5-nitro-1-oxido-1,2,4-benzotriazin-1-ium-3-amine;N-[7-(2,6-dimethylphenyl)-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-5-yl]acetamide;N-[7-(2,6-dimethylphenyl)-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-5-yl]methanesulfonamide;4-[[6-ethoxy-7-(2-methylphenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[6-(2-hydroxyethoxy)-7-(2-methylphenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[6-hydroxy-7-(2-methylphenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[6-methoxy-7-(2-methylphenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;N-[7-(2-methylphenyl)-3-[4-(2-pyrrolidin-1-ylethylsulfamoyl)anilino]-1,2,4-benzotriazin-6-yl]acetamide?
The canonical SMILES for 1-tert-butyl-3-[7-(2-methylphenyl)-3-[4-(2-pyrrolidin-1-ylethylsulfamoyl)anilino]-1,2,4-benzotriazin-6-yl]urea;2-[[7-(2,6-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide;5-[[7-(2,6-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-1-(3-pyrrolidin-1-ylpropyl)pyridin-2-one;7-(2,6-dimethylphenyl)-5-methyl-N-[2-(2-pyrrolidin-1-ylethoxy)-4-pyridinyl]-1,2,4-benzotriazin-3-amine;7-(2,6-dimethylphenyl)-5-nitro-1-oxido-1,2,4-benzotriazin-1-ium-3-amine;N-[7-(2,6-dimethylphenyl)-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-5-yl]acetamide;N-[7-(2,6-dimethylphenyl)-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-5-yl]methanesulfonamide;4-[[6-ethoxy-7-(2-methylphenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[6-(2-hydroxyethoxy)-7-(2-methylphenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[6-hydroxy-7-(2-methylphenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[6-methoxy-7-(2-methylphenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;N-[7-(2-methylphenyl)-3-[4-(2-pyrrolidin-1-ylethylsulfamoyl)anilino]-1,2,4-benzotriazin-6-yl]acetamide is CC(=O)Nc1cc(-c2c(C)cccc2C)cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12.CC(=O)Nc1cc2nc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nnc2cc1-c1ccccc1C.CCOc1cc2nc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nnc2cc1-c1ccccc1C.COc1cc2nc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nnc2cc1-c1ccccc1C.Cc1cccc(C)c1-c1cc(C)c2nc(Nc3ccc(=O)n(CCCN4CCCC4)c3)nnc2c1.Cc1cccc(C)c1-c1cc(C)c2nc(Nc3ccnc(OCCN4CCCC4)c3)nnc2c1.Cc1cccc(C)c1-c1cc(C)c2nc(Nc3nc(C(=O)NCCN4CCCC4)cs3)nnc2c1.Cc1cccc(C)c1-c1cc(NS(C)(=O)=O)c2nc(Nc3ccc(OCCN4CCCC4)cc3)nnc2c1.Cc1cccc(C)c1-c1cc([N+](=O)[O-])c2nc(N)n[n+]([O-])c2c1.Cc1ccccc1-c1cc2nnc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nc2cc1NC(=O)NC(C)(C)C.Cc1ccccc1-c1cc2nnc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nc2cc1O.Cc1ccccc1-c1cc2nnc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nc2cc1OCCO.
What is the InChIKey of 1-tert-butyl-3-[7-(2-methylphenyl)-3-[4-(2-pyrrolidin-1-ylethylsulfamoyl)anilino]-1,2,4-benzotriazin-6-yl]urea;2-[[7-(2,6-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide;5-[[7-(2,6-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-1-(3-pyrrolidin-1-ylpropyl)pyridin-2-one;7-(2,6-dimethylphenyl)-5-methyl-N-[2-(2-pyrrolidin-1-ylethoxy)-4-pyridinyl]-1,2,4-benzotriazin-3-amine;7-(2,6-dimethylphenyl)-5-nitro-1-oxido-1,2,4-benzotriazin-1-ium-3-amine;N-[7-(2,6-dimethylphenyl)-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-5-yl]acetamide;N-[7-(2,6-dimethylphenyl)-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-5-yl]methanesulfonamide;4-[[6-ethoxy-7-(2-methylphenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[6-(2-hydroxyethoxy)-7-(2-methylphenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[6-hydroxy-7-(2-methylphenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[6-methoxy-7-(2-methylphenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;N-[7-(2-methylphenyl)-3-[4-(2-pyrrolidin-1-ylethylsulfamoyl)anilino]-1,2,4-benzotriazin-6-yl]acetamide?
The InChIKey is FTDFYKVGVPOOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38N8O3S.C29H32N6O2.C28H31N7O3S.C28H32N6O4S.2C28H32N6O3S.C28H32N6O.C27H30N6O3S.C27H30N6O.C26H29N7OS.C26H28N6O3S.C15H13N5O3/c1-21-9-5-6-10-24(21)25-19-28-27(20-26(25)35-30(40)36-31(2,3)4)34-29(38-37-28)33-22-11-13-23(14-12-22)43(41,42)32-15-18-39-16-7-8-17-39;1-19-7-6-8-20(2)27(19)22-17-25(30-21(3)36)28-26(18-22)33-34-29(32-28)31-23-9-11-24(12-10-23)37-16-15-35-13-4-5-14-35;1-19-7-3-4-8-23(19)24-17-27-26(18-25(24)30-20(2)36)32-28(34-33-27)31-21-9-11-22(12-10-21)39(37,38)29-13-16-35-14-5-6-15-35;1-20-6-2-3-7-23(20)24-18-26-25(19-27(24)38-17-16-35)31-28(33-32-26)30-21-8-10-22(11-9-21)39(36,37)29-12-15-34-13-4-5-14-34;1-19-7-6-8-20(2)26(19)21-17-24-27(25(18-21)33-38(3,35)36)30-28(32-31-24)29-22-9-11-23(12-10-22)37-16-15-34-13-4-5-14-34;1-3-37-27-19-25-26(18-24(27)23-9-5-4-8-20(23)2)32-33-28(31-25)30-21-10-12-22(13-11-21)38(35,36)29-14-17-34-15-6-7-16-34;1-19-8-6-9-20(2)26(19)22-16-21(3)27-24(17-22)31-32-28(30-27)29-23-10-11-25(35)34(18-23)15-7-14-33-12-4-5-13-33;1-19-7-3-4-8-22(19)23-17-25-24(18-26(23)36-2)30-27(32-31-25)29-20-9-11-21(12-10-20)37(34,35)28-13-16-33-14-5-6-15-33;1-18-7-6-8-19(2)25(18)21-15-20(3)26-23(16-21)31-32-27(30-26)29-22-9-10-28-24(17-22)34-14-13-33-11-4-5-12-33;1-16-7-6-8-17(2)22(16)19-13-18(3)23-20(14-19)31-32-25(29-23)30-26-28-21(15-35-26)24(34)27-9-12-33-10-4-5-11-33;1-18-6-2-3-7-21(18)22-16-24-23(17-25(22)33)29-26(31-30-24)28-19-8-10-20(11-9-19)36(34,35)27-12-15-32-13-4-5-14-32;1-8-4-3-5-9(2)13(8)10-6-11-14(12(7-10)20(22)23)17-15(16)18-19(11)21/h5-6,9-14,19-20,32H,7-8,15-18H2,1-4H3,(H,33,34,38)(H2,35,36,40);6-12,17-18H,4-5,13-16H2,1-3H3,(H,30,36)(H,31,32,34);3-4,7-12,17-18,29H,5-6,13-16H2,1-2H3,(H,30,36)(H,31,32,34);2-3,6-11,18-19,29,35H,4-5,12-17H2,1H3,(H,30,31,33);6-12,17-18,33H,4-5,13-16H2,1-3H3,(H,29,30,32);4-5,8-13,18-19,29H,3,6-7,14-17H2,1-2H3,(H,30,31,33);6,8-11,16-18H,4-5,7,12-15H2,1-3H3,(H,29,30,32);3-4,7-12,17-18,28H,5-6,13-16H2,1-2H3,(H,29,30,32);6-10,15-17H,4-5,11-14H2,1-3H3,(H,28,29,30,32);6-8,13-15H,4-5,9-12H2,1-3H3,(H,27,34)(H,28,29,30,32);2-3,6-11,16-17,27,33H,4-5,12-15H2,1H3,(H,28,29,31);3-7H,1-2H3,(H2,16,17,18).
What are the key properties of 1-tert-butyl-3-[7-(2-methylphenyl)-3-[4-(2-pyrrolidin-1-ylethylsulfamoyl)anilino]-1,2,4-benzotriazin-6-yl]urea;2-[[7-(2,6-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide;5-[[7-(2,6-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-1-(3-pyrrolidin-1-ylpropyl)pyridin-2-one;7-(2,6-dimethylphenyl)-5-methyl-N-[2-(2-pyrrolidin-1-ylethoxy)-4-pyridinyl]-1,2,4-benzotriazin-3-amine;7-(2,6-dimethylphenyl)-5-nitro-1-oxido-1,2,4-benzotriazin-1-ium-3-amine;N-[7-(2,6-dimethylphenyl)-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-5-yl]acetamide;N-[7-(2,6-dimethylphenyl)-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-5-yl]methanesulfonamide;4-[[6-ethoxy-7-(2-methylphenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[6-(2-hydroxyethoxy)-7-(2-methylphenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[6-hydroxy-7-(2-methylphenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[6-methoxy-7-(2-methylphenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;N-[7-(2-methylphenyl)-3-[4-(2-pyrrolidin-1-ylethylsulfamoyl)anilino]-1,2,4-benzotriazin-6-yl]acetamide?
1-tert-butyl-3-[7-(2-methylphenyl)-3-[4-(2-pyrrolidin-1-ylethylsulfamoyl)anilino]-1,2,4-benzotriazin-6-yl]urea;2-[[7-(2,6-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide;5-[[7-(2,6-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-1-(3-pyrrolidin-1-ylpropyl)pyridin-2-one;7-(2,6-dimethylphenyl)-5-methyl-N-[2-(2-pyrrolidin-1-ylethoxy)-4-pyridinyl]-1,2,4-benzotriazin-3-amine;7-(2,6-dimethylphenyl)-5-nitro-1-oxido-1,2,4-benzotriazin-1-ium-3-amine;N-[7-(2,6-dimethylphenyl)-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-5-yl]acetamide;N-[7-(2,6-dimethylphenyl)-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-5-yl]methanesulfonamide;4-[[6-ethoxy-7-(2-methylphenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[6-(2-hydroxyethoxy)-7-(2-methylphenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[6-hydroxy-7-(2-methylphenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[6-methoxy-7-(2-methylphenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;N-[7-(2-methylphenyl)-3-[4-(2-pyrrolidin-1-ylethylsulfamoyl)anilino]-1,2,4-benzotriazin-6-yl]acetamide has a molecular weight of 6004.43 g/mol, XLogP of 52.37, 96 rotatable bonds, 26 hydrogen bond donors, and 92 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[7-(2-methylphenyl)-3-[4-(2-pyrrolidin-1-ylethylsulfamoyl)anilino]-1,2,4-benzotriazin-6-yl]urea;2-[[7-(2,6-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide;5-[[7-(2,6-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-1-(3-pyrrolidin-1-ylpropyl)pyridin-2-one;7-(2,6-dimethylphenyl)-5-methyl-N-[2-(2-pyrrolidin-1-ylethoxy)-4-pyridinyl]-1,2,4-benzotriazin-3-amine;7-(2,6-dimethylphenyl)-5-nitro-1-oxido-1,2,4-benzotriazin-1-ium-3-amine;N-[7-(2,6-dimethylphenyl)-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-5-yl]acetamide;N-[7-(2,6-dimethylphenyl)-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-5-yl]methanesulfonamide;4-[[6-ethoxy-7-(2-methylphenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[6-(2-hydroxyethoxy)-7-(2-methylphenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[6-hydroxy-7-(2-methylphenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[6-methoxy-7-(2-methylphenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;N-[7-(2-methylphenyl)-3-[4-(2-pyrrolidin-1-ylethylsulfamoyl)anilino]-1,2,4-benzotriazin-6-yl]acetamide is sourced from PubChem (CID 158134143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).