7-bromo-6-methyl-N-[4-(3-pyrrolidin-1-ylpropylsulfonyl)phenyl]-1,2,4-benzotriazin-3-amine;[4-chloro-3-[5-methyl-3-[3-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenyl] acetate;[4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenyl] acetate;[4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenyl] benzoate;[4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenyl] 2,2-dimethylpropanoate;[4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenyl] 4-methylbenzoate;[4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenyl] 2-methylpropanoate;4-[[7-(3-hydroxypiperidin-1-yl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;methane;2-[[6-methyl-3-[4-(3-pyrrolidin-1-ylpropylsulfonyl)anilino]-1,2,4-benzotriazin-7-yl]-propan-2-ylamino]ethanol;2-[2-[[6-methyl-3-[4-(3-pyrrolidin-1-ylpropylsulfonyl)anilino]-1,2,4-benzotriazin-7-yl]-propan-2-ylamino]ethoxy]ethanol

C286H325BrCl6N54O30S4 — CID 160741612

About 7-bromo-6-methyl-N-[4-(3-pyrrolidin-1-ylpropylsulfonyl)phenyl]-1,2,4-benzotriazin-3-amine;[4-chloro-3-[5-methyl-3-[3-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenyl] acetate;[4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenyl] acetate;[4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenyl] benzoate;[4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenyl] 2,2-dimethylpropanoate;[4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenyl] 4-methylbenzoate;[4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenyl] 2-methylpropanoate;4-[[7-(3-hydroxypiperidin-1-yl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;methane;2-[[6-methyl-3-[4-(3-pyrrolidin-1-ylpropylsulfonyl)anilino]-1,2,4-benzotriazin-7-yl]-propan-2-ylamino]ethanol;2-[2-[[6-methyl-3-[4-(3-pyrrolidin-1-ylpropylsulfonyl)anilino]-1,2,4-benzotriazin-7-yl]-propan-2-ylamino]ethoxy]ethanol

7-bromo-6-methyl-N-[4-(3-pyrrolidin-1-ylpropylsulfonyl)phenyl]-1,2,4-benzotriazin-3-amine;[4-chloro-3-[5-methyl-3-[3-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenyl] acetate;[4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenyl] acetate;[4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenyl] benzoate;[4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenyl] 2,2-dimethylpropanoate;[4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenyl] 4-methylbenzoate;[4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenyl] 2-methylpropanoate;4-[[7-(3-hydroxypiperidin-1-yl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;methane;2-[[6-methyl-3-[4-(3-pyrrolidin-1-ylpropylsulfonyl)anilino]-1,2,4-benzotriazin-7-yl]-propan-2-ylamino]ethanol;2-[2-[[6-methyl-3-[4-(3-pyrrolidin-1-ylpropylsulfonyl)anilino]-1,2,4-benzotriazin-7-yl]-propan-2-ylamino]ethoxy]ethanol (PubChem CID 160741612) has the molecular formula C286H325BrCl6N54O30S4 and a molecular weight of 5419.98 g/mol. Its IUPAC name is 7-bromo-6-methyl-N-[4-(3-pyrrolidin-1-ylpropylsulfonyl)phenyl]-1,2,4-benzotriazin-3-amine;[4-chloro-3-[5-methyl-3-[3-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenyl] acetate;[4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenyl] acetate;[4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenyl] benzoate;[4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenyl] 2,2-dimethylpropanoate;[4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenyl] 4-methylbenzoate;[4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenyl] 2-methylpropanoate;4-[[7-(3-hydroxypiperidin-1-yl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;methane;2-[[6-methyl-3-[4-(3-pyrrolidin-1-ylpropylsulfonyl)anilino]-1,2,4-benzotriazin-7-yl]-propan-2-ylamino]ethanol;2-[2-[[6-methyl-3-[4-(3-pyrrolidin-1-ylpropylsulfonyl)anilino]-1,2,4-benzotriazin-7-yl]-propan-2-ylamino]ethoxy]ethanol.

Molecular Properties

• Compound Name: 7-bromo-6-methyl-N-[4-(3-pyrrolidin-1-ylpropylsulfonyl)phenyl]-1,2,4-benzotriazin-3-amine;[4-chloro-3-[5-methyl-3-[3-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenyl] acetate;[4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenyl] acetate;[4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenyl] benzoate;[4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenyl] 2,2-dimethylpropanoate;[4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenyl] 4-methylbenzoate;[4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenyl] 2-methylpropanoate;4-[[7-(3-hydroxypiperidin-1-yl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;methane;2-[[6-methyl-3-[4-(3-pyrrolidin-1-ylpropylsulfonyl)anilino]-1,2,4-benzotriazin-7-yl]-propan-2-ylamino]ethanol;2-[2-[[6-methyl-3-[4-(3-pyrrolidin-1-ylpropylsulfonyl)anilino]-1,2,4-benzotriazin-7-yl]-propan-2-ylamino]ethoxy]ethanol
• PubChem CID: 160741612
• Molecular Formula: C286H325BrCl6N54O30S4
• Molecular Weight: 5419.98 g/mol
• Exact Mass: 5412.18
• IUPAC Name: 7-bromo-6-methyl-N-[4-(3-pyrrolidin-1-ylpropylsulfonyl)phenyl]-1,2,4-benzotriazin-3-amine;[4-chloro-3-[5-methyl-3-[3-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenyl] acetate;[4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenyl] acetate;[4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenyl] benzoate;[4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenyl] 2,2-dimethylpropanoate;[4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenyl] 4-methylbenzoate;[4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenyl] 2-methylpropanoate;4-[[7-(3-hydroxypiperidin-1-yl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;methane;2-[[6-methyl-3-[4-(3-pyrrolidin-1-ylpropylsulfonyl)anilino]-1,2,4-benzotriazin-7-yl]-propan-2-ylamino]ethanol;2-[2-[[6-methyl-3-[4-(3-pyrrolidin-1-ylpropylsulfonyl)anilino]-1,2,4-benzotriazin-7-yl]-propan-2-ylamino]ethoxy]ethanol
• SMILES: C.C.CC(=O)Oc1ccc(Cl)c(-c2cc(C)c3nc(Nc4ccc(OCCN5CCCC5)cc4)nnc3c2)c1.CC(=O)Oc1ccc(Cl)c(-c2cc(C)c3nc(Nc4cccc(OCCN5CCCC5)c4)nnc3c2)c1.Cc1cc(-c2cc(OC(=O)C(C)(C)C)ccc2Cl)cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12.Cc1cc(-c2cc(OC(=O)C(C)C)ccc2Cl)cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12.Cc1cc(-c2cc(OC(=O)c3ccccc3)ccc2Cl)cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12.Cc1cc2nc(Nc3ccc(S(=O)(=O)CCCN4CCCC4)cc3)nnc2cc1Br.Cc1cc2nc(Nc3ccc(S(=O)(=O)CCCN4CCCC4)cc3)nnc2cc1N(CCO)C(C)C.Cc1cc2nc(Nc3ccc(S(=O)(=O)CCCN4CCCC4)cc3)nnc2cc1N(CCOCCO)C(C)C.Cc1cc2nc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nnc2cc1N1CCCC(O)C1.Cc1ccc(C(=O)Oc2ccc(Cl)c(-c3cc(C)c4nc(Nc5ccc(OCCN6CCCC6)cc5)nnc4c3)c2)cc1
• InChI: InChI=1S/C34H32ClN5O3.C33H30ClN5O3.C31H34ClN5O3.C30H32ClN5O3.2C28H28ClN5O3.C28H40N6O4S.C26H36N6O3S.C25H33N7O3S.C21H24BrN5O2S.2CH4/c1-22-5-7-24(8-6-22)33(41)43-28-13-14-30(35)29(21-28)25-19-23(2)32-31(20-25)38-39-34(37-32)36-26-9-11-27(12-10-26)42-18-17-40-15-3-4-16-40;1-22-19-24(28-21-27(13-14-29(28)34)42-32(40)23-7-3-2-4-8-23)20-30-31(22)36-33(38-37-30)35-25-9-11-26(12-10-25)41-18-17-39-15-5-6-16-39;1-20-17-21(25-19-24(11-12-26(25)32)40-29(38)31(2,3)4)18-27-28(20)34-30(36-35-27)33-22-7-9-23(10-8-22)39-16-15-37-13-5-6-14-37;1-19(2)29(37)39-24-10-11-26(31)25(18-24)21-16-20(3)28-27(17-21)34-35-30(33-28)32-22-6-8-23(9-7-22)38-15-14-36-12-4-5-13-36;1-18-15-20(24-17-23(37-19(2)35)9-10-25(24)29)16-26-27(18)31-28(33-32-26)30-21-5-7-22(8-6-21)36-14-13-34-11-3-4-12-34;1-18-14-20(24-17-23(37-19(2)35)8-9-25(24)29)15-26-27(18)31-28(33-32-26)30-21-6-5-7-22(16-21)36-13-12-34-10-3-4-11-34;1-21(2)34(14-16-38-17-15-35)27-20-26-25(19-22(27)3)30-28(32-31-26)29-23-7-9-24(10-8-23)39(36,37)18-6-13-33-11-4-5-12-33;1-19(2)32(14-15-33)25-18-24-23(17-20(25)3)28-26(30-29-24)27-21-7-9-22(10-8-21)36(34,35)16-6-13-31-11-4-5-12-31;1-18-15-22-23(16-24(18)32-13-4-5-20(33)17-32)29-30-25(28-22)27-19-6-8-21(9-7-19)36(34,35)26-10-14-31-11-2-3-12-31;1-15-13-19-20(14-18(15)22)25-26-21(24-19)23-16-5-7-17(8-6-16)30(28,29)12-4-11-27-9-2-3-10-27;;/h5-14,19-21H,3-4,15-18H2,1-2H3,(H,36,37,39);2-4,7-14,19-21H,5-6,15-18H2,1H3,(H,35,36,38);7-12,17-19H,5-6,13-16H2,1-4H3,(H,33,34,36);6-11,16-19H,4-5,12-15H2,1-3H3,(H,32,33,35);5-10,15-17H,3-4,11-14H2,1-2H3,(H,30,31,33);5-9,14-17H,3-4,10-13H2,1-2H3,(H,30,31,33);7-10,19-21,35H,4-6,11-18H2,1-3H3,(H,29,30,32);7-10,17-19,33H,4-6,11-16H2,1-3H3,(H,27,28,30);6-9,15-16,20,26,33H,2-5,10-14,17H2,1H3,(H,27,28,30);5-8,13-14H,2-4,9-12H2,1H3,(H,23,24,26);2*1H4
• InChIKey: RVQXEYLJRUUFAJ-UHFFFAOYSA-N
• XLogP: 54.23
• TPSA: 980.81 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 83
• Rotatable Bonds: 91
• Heavy Atoms: 381
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	5419.98
LogP ≤ 5	54.23
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	83

Frequently Asked Questions

What is the IUPAC name of 7-bromo-6-methyl-N-[4-(3-pyrrolidin-1-ylpropylsulfonyl)phenyl]-1,2,4-benzotriazin-3-amine;[4-chloro-3-[5-methyl-3-[3-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenyl] acetate;[4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenyl] acetate;[4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenyl] benzoate;[4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenyl] 2,2-dimethylpropanoate;[4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenyl] 4-methylbenzoate;[4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenyl] 2-methylpropanoate;4-[[7-(3-hydroxypiperidin-1-yl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;methane;2-[[6-methyl-3-[4-(3-pyrrolidin-1-ylpropylsulfonyl)anilino]-1,2,4-benzotriazin-7-yl]-propan-2-ylamino]ethanol;2-[2-[[6-methyl-3-[4-(3-pyrrolidin-1-ylpropylsulfonyl)anilino]-1,2,4-benzotriazin-7-yl]-propan-2-ylamino]ethoxy]ethanol?

The IUPAC name of 7-bromo-6-methyl-N-[4-(3-pyrrolidin-1-ylpropylsulfonyl)phenyl]-1,2,4-benzotriazin-3-amine;[4-chloro-3-[5-methyl-3-[3-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenyl] acetate;[4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenyl] acetate;[4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenyl] benzoate;[4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenyl] 2,2-dimethylpropanoate;[4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenyl] 4-methylbenzoate;[4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenyl] 2-methylpropanoate;4-[[7-(3-hydroxypiperidin-1-yl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;methane;2-[[6-methyl-3-[4-(3-pyrrolidin-1-ylpropylsulfonyl)anilino]-1,2,4-benzotriazin-7-yl]-propan-2-ylamino]ethanol;2-[2-[[6-methyl-3-[4-(3-pyrrolidin-1-ylpropylsulfonyl)anilino]-1,2,4-benzotriazin-7-yl]-propan-2-ylamino]ethoxy]ethanol (CID 160741612) is 7-bromo-6-methyl-N-[4-(3-pyrrolidin-1-ylpropylsulfonyl)phenyl]-1,2,4-benzotriazin-3-amine;[4-chloro-3-[5-methyl-3-[3-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenyl] acetate;[4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenyl] acetate;[4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenyl] benzoate;[4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenyl] 2,2-dimethylpropanoate;[4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenyl] 4-methylbenzoate;[4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenyl] 2-methylpropanoate;4-[[7-(3-hydroxypiperidin-1-yl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;methane;2-[[6-methyl-3-[4-(3-pyrrolidin-1-ylpropylsulfonyl)anilino]-1,2,4-benzotriazin-7-yl]-propan-2-ylamino]ethanol;2-[2-[[6-methyl-3-[4-(3-pyrrolidin-1-ylpropylsulfonyl)anilino]-1,2,4-benzotriazin-7-yl]-propan-2-ylamino]ethoxy]ethanol.

What is the SMILES notation for 7-bromo-6-methyl-N-[4-(3-pyrrolidin-1-ylpropylsulfonyl)phenyl]-1,2,4-benzotriazin-3-amine;[4-chloro-3-[5-methyl-3-[3-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenyl] acetate;[4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenyl] acetate;[4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenyl] benzoate;[4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenyl] 2,2-dimethylpropanoate;[4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenyl] 4-methylbenzoate;[4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenyl] 2-methylpropanoate;4-[[7-(3-hydroxypiperidin-1-yl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;methane;2-[[6-methyl-3-[4-(3-pyrrolidin-1-ylpropylsulfonyl)anilino]-1,2,4-benzotriazin-7-yl]-propan-2-ylamino]ethanol;2-[2-[[6-methyl-3-[4-(3-pyrrolidin-1-ylpropylsulfonyl)anilino]-1,2,4-benzotriazin-7-yl]-propan-2-ylamino]ethoxy]ethanol?

The canonical SMILES for 7-bromo-6-methyl-N-[4-(3-pyrrolidin-1-ylpropylsulfonyl)phenyl]-1,2,4-benzotriazin-3-amine;[4-chloro-3-[5-methyl-3-[3-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenyl] acetate;[4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenyl] acetate;[4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenyl] benzoate;[4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenyl] 2,2-dimethylpropanoate;[4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenyl] 4-methylbenzoate;[4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenyl] 2-methylpropanoate;4-[[7-(3-hydroxypiperidin-1-yl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;methane;2-[[6-methyl-3-[4-(3-pyrrolidin-1-ylpropylsulfonyl)anilino]-1,2,4-benzotriazin-7-yl]-propan-2-ylamino]ethanol;2-[2-[[6-methyl-3-[4-(3-pyrrolidin-1-ylpropylsulfonyl)anilino]-1,2,4-benzotriazin-7-yl]-propan-2-ylamino]ethoxy]ethanol is C.C.CC(=O)Oc1ccc(Cl)c(-c2cc(C)c3nc(Nc4ccc(OCCN5CCCC5)cc4)nnc3c2)c1.CC(=O)Oc1ccc(Cl)c(-c2cc(C)c3nc(Nc4cccc(OCCN5CCCC5)c4)nnc3c2)c1.Cc1cc(-c2cc(OC(=O)C(C)(C)C)ccc2Cl)cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12.Cc1cc(-c2cc(OC(=O)C(C)C)ccc2Cl)cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12.Cc1cc(-c2cc(OC(=O)c3ccccc3)ccc2Cl)cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12.Cc1cc2nc(Nc3ccc(S(=O)(=O)CCCN4CCCC4)cc3)nnc2cc1Br.Cc1cc2nc(Nc3ccc(S(=O)(=O)CCCN4CCCC4)cc3)nnc2cc1N(CCO)C(C)C.Cc1cc2nc(Nc3ccc(S(=O)(=O)CCCN4CCCC4)cc3)nnc2cc1N(CCOCCO)C(C)C.Cc1cc2nc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nnc2cc1N1CCCC(O)C1.Cc1ccc(C(=O)Oc2ccc(Cl)c(-c3cc(C)c4nc(Nc5ccc(OCCN6CCCC6)cc5)nnc4c3)c2)cc1.

What is the InChIKey of 7-bromo-6-methyl-N-[4-(3-pyrrolidin-1-ylpropylsulfonyl)phenyl]-1,2,4-benzotriazin-3-amine;[4-chloro-3-[5-methyl-3-[3-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenyl] acetate;[4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenyl] acetate;[4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenyl] benzoate;[4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenyl] 2,2-dimethylpropanoate;[4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenyl] 4-methylbenzoate;[4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenyl] 2-methylpropanoate;4-[[7-(3-hydroxypiperidin-1-yl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;methane;2-[[6-methyl-3-[4-(3-pyrrolidin-1-ylpropylsulfonyl)anilino]-1,2,4-benzotriazin-7-yl]-propan-2-ylamino]ethanol;2-[2-[[6-methyl-3-[4-(3-pyrrolidin-1-ylpropylsulfonyl)anilino]-1,2,4-benzotriazin-7-yl]-propan-2-ylamino]ethoxy]ethanol?

The InChIKey is RVQXEYLJRUUFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32ClN5O3.C33H30ClN5O3.C31H34ClN5O3.C30H32ClN5O3.2C28H28ClN5O3.C28H40N6O4S.C26H36N6O3S.C25H33N7O3S.C21H24BrN5O2S.2CH4/c1-22-5-7-24(8-6-22)33(41)43-28-13-14-30(35)29(21-28)25-19-23(2)32-31(20-25)38-39-34(37-32)36-26-9-11-27(12-10-26)42-18-17-40-15-3-4-16-40;1-22-19-24(28-21-27(13-14-29(28)34)42-32(40)23-7-3-2-4-8-23)20-30-31(22)36-33(38-37-30)35-25-9-11-26(12-10-25)41-18-17-39-15-5-6-16-39;1-20-17-21(25-19-24(11-12-26(25)32)40-29(38)31(2,3)4)18-27-28(20)34-30(36-35-27)33-22-7-9-23(10-8-22)39-16-15-37-13-5-6-14-37;1-19(2)29(37)39-24-10-11-26(31)25(18-24)21-16-20(3)28-27(17-21)34-35-30(33-28)32-22-6-8-23(9-7-22)38-15-14-36-12-4-5-13-36;1-18-15-20(24-17-23(37-19(2)35)9-10-25(24)29)16-26-27(18)31-28(33-32-26)30-21-5-7-22(8-6-21)36-14-13-34-11-3-4-12-34;1-18-14-20(24-17-23(37-19(2)35)8-9-25(24)29)15-26-27(18)31-28(33-32-26)30-21-6-5-7-22(16-21)36-13-12-34-10-3-4-11-34;1-21(2)34(14-16-38-17-15-35)27-20-26-25(19-22(27)3)30-28(32-31-26)29-23-7-9-24(10-8-23)39(36,37)18-6-13-33-11-4-5-12-33;1-19(2)32(14-15-33)25-18-24-23(17-20(25)3)28-26(30-29-24)27-21-7-9-22(10-8-21)36(34,35)16-6-13-31-11-4-5-12-31;1-18-15-22-23(16-24(18)32-13-4-5-20(33)17-32)29-30-25(28-22)27-19-6-8-21(9-7-19)36(34,35)26-10-14-31-11-2-3-12-31;1-15-13-19-20(14-18(15)22)25-26-21(24-19)23-16-5-7-17(8-6-16)30(28,29)12-4-11-27-9-2-3-10-27;;/h5-14,19-21H,3-4,15-18H2,1-2H3,(H,36,37,39);2-4,7-14,19-21H,5-6,15-18H2,1H3,(H,35,36,38);7-12,17-19H,5-6,13-16H2,1-4H3,(H,33,34,36);6-11,16-19H,4-5,12-15H2,1-3H3,(H,32,33,35);5-10,15-17H,3-4,11-14H2,1-2H3,(H,30,31,33);5-9,14-17H,3-4,10-13H2,1-2H3,(H,30,31,33);7-10,19-21,35H,4-6,11-18H2,1-3H3,(H,29,30,32);7-10,17-19,33H,4-6,11-16H2,1-3H3,(H,27,28,30);6-9,15-16,20,26,33H,2-5,10-14,17H2,1H3,(H,27,28,30);5-8,13-14H,2-4,9-12H2,1H3,(H,23,24,26);2*1H4.

What are the key properties of 7-bromo-6-methyl-N-[4-(3-pyrrolidin-1-ylpropylsulfonyl)phenyl]-1,2,4-benzotriazin-3-amine;[4-chloro-3-[5-methyl-3-[3-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenyl] acetate;[4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenyl] acetate;[4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenyl] benzoate;[4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenyl] 2,2-dimethylpropanoate;[4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenyl] 4-methylbenzoate;[4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenyl] 2-methylpropanoate;4-[[7-(3-hydroxypiperidin-1-yl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;methane;2-[[6-methyl-3-[4-(3-pyrrolidin-1-ylpropylsulfonyl)anilino]-1,2,4-benzotriazin-7-yl]-propan-2-ylamino]ethanol;2-[2-[[6-methyl-3-[4-(3-pyrrolidin-1-ylpropylsulfonyl)anilino]-1,2,4-benzotriazin-7-yl]-propan-2-ylamino]ethoxy]ethanol?

7-bromo-6-methyl-N-[4-(3-pyrrolidin-1-ylpropylsulfonyl)phenyl]-1,2,4-benzotriazin-3-amine;[4-chloro-3-[5-methyl-3-[3-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenyl] acetate;[4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenyl] acetate;[4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenyl] benzoate;[4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenyl] 2,2-dimethylpropanoate;[4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenyl] 4-methylbenzoate;[4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenyl] 2-methylpropanoate;4-[[7-(3-hydroxypiperidin-1-yl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;methane;2-[[6-methyl-3-[4-(3-pyrrolidin-1-ylpropylsulfonyl)anilino]-1,2,4-benzotriazin-7-yl]-propan-2-ylamino]ethanol;2-[2-[[6-methyl-3-[4-(3-pyrrolidin-1-ylpropylsulfonyl)anilino]-1,2,4-benzotriazin-7-yl]-propan-2-ylamino]ethoxy]ethanol has a molecular weight of 5419.98 g/mol, XLogP of 54.23, 91 rotatable bonds, 14 hydrogen bond donors, and 83 hydrogen bond acceptors.

Where does this data come from?

All data for 7-bromo-6-methyl-N-[4-(3-pyrrolidin-1-ylpropylsulfonyl)phenyl]-1,2,4-benzotriazin-3-amine;[4-chloro-3-[5-methyl-3-[3-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenyl] acetate;[4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenyl] acetate;[4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenyl] benzoate;[4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenyl] 2,2-dimethylpropanoate;[4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenyl] 4-methylbenzoate;[4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenyl] 2-methylpropanoate;4-[[7-(3-hydroxypiperidin-1-yl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;methane;2-[[6-methyl-3-[4-(3-pyrrolidin-1-ylpropylsulfonyl)anilino]-1,2,4-benzotriazin-7-yl]-propan-2-ylamino]ethanol;2-[2-[[6-methyl-3-[4-(3-pyrrolidin-1-ylpropylsulfonyl)anilino]-1,2,4-benzotriazin-7-yl]-propan-2-ylamino]ethoxy]ethanol is sourced from PubChem (CID 160741612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).