5-benzyl-12-(4-bromo-3-chlorobenzoyl)-7-[4-(1H-imidazol-2-yl)phenyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;5-benzyl-12-(4-bromo-3-chlorobenzoyl)-7-(3-propanoylphenyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-5-(cyclopropylmethyl)-7-(4-methylphenyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-5-[(3-fluorophenyl)methyl]-7-(4-methylphenyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-7-(4-methylphenyl)-5-(2-methylpropyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-7-(4-methylphenyl)-5-prop-2-ynyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;4-[12-(4-bromo-3-isocyanobenzoyl)-5-[(4-methylphenyl)methyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide

C207H170Br7Cl6FN32O16 — CID 164981436

About 5-benzyl-12-(4-bromo-3-chlorobenzoyl)-7-[4-(1H-imidazol-2-yl)phenyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;5-benzyl-12-(4-bromo-3-chlorobenzoyl)-7-(3-propanoylphenyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-5-(cyclopropylmethyl)-7-(4-methylphenyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-5-[(3-fluorophenyl)methyl]-7-(4-methylphenyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-7-(4-methylphenyl)-5-(2-methylpropyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-7-(4-methylphenyl)-5-prop-2-ynyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;4-[12-(4-bromo-3-isocyanobenzoyl)-5-[(4-methylphenyl)methyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide

5-benzyl-12-(4-bromo-3-chlorobenzoyl)-7-[4-(1H-imidazol-2-yl)phenyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;5-benzyl-12-(4-bromo-3-chlorobenzoyl)-7-(3-propanoylphenyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-5-(cyclopropylmethyl)-7-(4-methylphenyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-5-[(3-fluorophenyl)methyl]-7-(4-methylphenyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-7-(4-methylphenyl)-5-(2-methylpropyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-7-(4-methylphenyl)-5-prop-2-ynyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;4-[12-(4-bromo-3-isocyanobenzoyl)-5-[(4-methylphenyl)methyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide (PubChem CID 164981436) has the molecular formula C207H170Br7Cl6FN32O16 and a molecular weight of 4152.89 g/mol. Its IUPAC name is 5-benzyl-12-(4-bromo-3-chlorobenzoyl)-7-[4-(1H-imidazol-2-yl)phenyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;5-benzyl-12-(4-bromo-3-chlorobenzoyl)-7-(3-propanoylphenyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-5-(cyclopropylmethyl)-7-(4-methylphenyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-5-[(3-fluorophenyl)methyl]-7-(4-methylphenyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-7-(4-methylphenyl)-5-(2-methylpropyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-7-(4-methylphenyl)-5-prop-2-ynyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;4-[12-(4-bromo-3-isocyanobenzoyl)-5-[(4-methylphenyl)methyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide.

Molecular Properties

• Compound Name: 5-benzyl-12-(4-bromo-3-chlorobenzoyl)-7-[4-(1H-imidazol-2-yl)phenyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;5-benzyl-12-(4-bromo-3-chlorobenzoyl)-7-(3-propanoylphenyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-5-(cyclopropylmethyl)-7-(4-methylphenyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-5-[(3-fluorophenyl)methyl]-7-(4-methylphenyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-7-(4-methylphenyl)-5-(2-methylpropyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-7-(4-methylphenyl)-5-prop-2-ynyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;4-[12-(4-bromo-3-isocyanobenzoyl)-5-[(4-methylphenyl)methyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide
• PubChem CID: 164981436
• Molecular Formula: C207H170Br7Cl6FN32O16
• Molecular Weight: 4152.89 g/mol
• Exact Mass: 4140.59
• IUPAC Name: 5-benzyl-12-(4-bromo-3-chlorobenzoyl)-7-[4-(1H-imidazol-2-yl)phenyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;5-benzyl-12-(4-bromo-3-chlorobenzoyl)-7-(3-propanoylphenyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-5-(cyclopropylmethyl)-7-(4-methylphenyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-5-[(3-fluorophenyl)methyl]-7-(4-methylphenyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-7-(4-methylphenyl)-5-(2-methylpropyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-7-(4-methylphenyl)-5-prop-2-ynyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;4-[12-(4-bromo-3-isocyanobenzoyl)-5-[(4-methylphenyl)methyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide
• SMILES: C#CCc1cnn2c3c(c(=O)n(-c4ccc(C)cc4)c12)CCN(C(=O)c1ccc(Br)c(Cl)c1)C3.CCC(=O)c1cccc(-n2c(=O)c3c(n4ncc(Cc5ccccc5)c24)CN(C(=O)c2ccc(Br)c(Cl)c2)CC3)c1.Cc1ccc(-n2c(=O)c3c(n4ncc(CC(C)C)c24)CN(C(=O)c2ccc(Br)c(Cl)c2)CC3)cc1.Cc1ccc(-n2c(=O)c3c(n4ncc(CC5CC5)c24)CN(C(=O)c2ccc(Br)c(Cl)c2)CC3)cc1.Cc1ccc(-n2c(=O)c3c(n4ncc(Cc5cccc(F)c5)c24)CN(C(=O)c2ccc(Br)c(Cl)c2)CC3)cc1.O=C(c1ccc(Br)c(Cl)c1)N1CCc2c(n3ncc(Cc4ccccc4)c3n(-c3ccc(-c4ncc[nH]4)cc3)c2=O)C1.[C-]#[N+]c1cc(C(=O)N2CCc3c(n4ncc(Cc5ccc(C)cc5)c4n(-c4ccc(C(=O)NC)cc4)c3=O)C2)ccc1Br
• InChI: InChI=1S/C33H27BrN6O3.C32H24BrClN6O2.C32H26BrClN4O3.C30H23BrClFN4O2.C27H24BrClN4O2.C27H26BrClN4O2.C26H20BrClN4O2/c1-20-4-6-21(7-5-20)16-24-18-37-40-29-19-38(32(42)23-10-13-27(34)28(17-23)35-2)15-14-26(29)33(43)39(31(24)40)25-11-8-22(9-12-25)30(41)36-3;33-26-11-8-22(17-27(26)34)31(41)38-15-12-25-28(19-38)40-30(23(18-37-40)16-20-4-2-1-3-5-20)39(32(25)42)24-9-6-21(7-10-24)29-35-13-14-36-29;1-2-29(39)21-9-6-10-24(16-21)37-30-23(15-20-7-4-3-5-8-20)18-35-38(30)28-19-36(14-13-25(28)32(37)41)31(40)22-11-12-26(33)27(34)17-22;1-18-5-8-23(9-6-18)36-28-21(13-19-3-2-4-22(33)14-19)16-34-37(28)27-17-35(12-11-24(27)30(36)39)29(38)20-7-10-25(31)26(32)15-20;1-16-2-7-20(8-3-16)32-25-19(12-17-4-5-17)14-30-33(25)24-15-31(11-10-21(24)27(32)35)26(34)18-6-9-22(28)23(29)13-18;1-16(2)12-19-14-30-33-24-15-31(26(34)18-6-9-22(28)23(29)13-18)11-10-21(24)27(35)32(25(19)33)20-7-4-17(3)5-8-20;1-3-4-18-14-29-32-23-15-30(25(33)17-7-10-21(27)22(28)13-17)12-11-20(23)26(34)31(24(18)32)19-8-5-16(2)6-9-19/h4-13,17-18H,14-16,19H2,1,3H3,(H,36,41);1-11,13-14,17-18H,12,15-16,19H2,(H,35,36);3-12,16-18H,2,13-15,19H2,1H3;2-10,14-16H,11-13,17H2,1H3;2-3,6-9,13-14,17H,4-5,10-12,15H2,1H3;4-9,13-14,16H,10-12,15H2,1-3H3;1,5-10,13-14H,4,11-12,15H2,2H3
• InChIKey: FNVBLNZYWKKFNY-UHFFFAOYSA-N
• XLogP: 39.31
• TPSA: 496.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 38
• Rotatable Bonds: 31
• Heavy Atoms: 269
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4152.89
LogP ≤ 5	39.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-12-(4-bromo-3-chlorobenzoyl)-7-[4-(1H-imidazol-2-yl)phenyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;5-benzyl-12-(4-bromo-3-chlorobenzoyl)-7-(3-propanoylphenyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-5-(cyclopropylmethyl)-7-(4-methylphenyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-5-[(3-fluorophenyl)methyl]-7-(4-methylphenyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-7-(4-methylphenyl)-5-(2-methylpropyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-7-(4-methylphenyl)-5-prop-2-ynyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;4-[12-(4-bromo-3-isocyanobenzoyl)-5-[(4-methylphenyl)methyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide?

The IUPAC name of 5-benzyl-12-(4-bromo-3-chlorobenzoyl)-7-[4-(1H-imidazol-2-yl)phenyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;5-benzyl-12-(4-bromo-3-chlorobenzoyl)-7-(3-propanoylphenyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-5-(cyclopropylmethyl)-7-(4-methylphenyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-5-[(3-fluorophenyl)methyl]-7-(4-methylphenyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-7-(4-methylphenyl)-5-(2-methylpropyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-7-(4-methylphenyl)-5-prop-2-ynyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;4-[12-(4-bromo-3-isocyanobenzoyl)-5-[(4-methylphenyl)methyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide (CID 164981436) is 5-benzyl-12-(4-bromo-3-chlorobenzoyl)-7-[4-(1H-imidazol-2-yl)phenyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;5-benzyl-12-(4-bromo-3-chlorobenzoyl)-7-(3-propanoylphenyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-5-(cyclopropylmethyl)-7-(4-methylphenyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-5-[(3-fluorophenyl)methyl]-7-(4-methylphenyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-7-(4-methylphenyl)-5-(2-methylpropyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-7-(4-methylphenyl)-5-prop-2-ynyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;4-[12-(4-bromo-3-isocyanobenzoyl)-5-[(4-methylphenyl)methyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide.

What is the SMILES notation for 5-benzyl-12-(4-bromo-3-chlorobenzoyl)-7-[4-(1H-imidazol-2-yl)phenyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;5-benzyl-12-(4-bromo-3-chlorobenzoyl)-7-(3-propanoylphenyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-5-(cyclopropylmethyl)-7-(4-methylphenyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-5-[(3-fluorophenyl)methyl]-7-(4-methylphenyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-7-(4-methylphenyl)-5-(2-methylpropyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-7-(4-methylphenyl)-5-prop-2-ynyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;4-[12-(4-bromo-3-isocyanobenzoyl)-5-[(4-methylphenyl)methyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide?

The canonical SMILES for 5-benzyl-12-(4-bromo-3-chlorobenzoyl)-7-[4-(1H-imidazol-2-yl)phenyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;5-benzyl-12-(4-bromo-3-chlorobenzoyl)-7-(3-propanoylphenyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-5-(cyclopropylmethyl)-7-(4-methylphenyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-5-[(3-fluorophenyl)methyl]-7-(4-methylphenyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-7-(4-methylphenyl)-5-(2-methylpropyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-7-(4-methylphenyl)-5-prop-2-ynyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;4-[12-(4-bromo-3-isocyanobenzoyl)-5-[(4-methylphenyl)methyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide is C#CCc1cnn2c3c(c(=O)n(-c4ccc(C)cc4)c12)CCN(C(=O)c1ccc(Br)c(Cl)c1)C3.CCC(=O)c1cccc(-n2c(=O)c3c(n4ncc(Cc5ccccc5)c24)CN(C(=O)c2ccc(Br)c(Cl)c2)CC3)c1.Cc1ccc(-n2c(=O)c3c(n4ncc(CC(C)C)c24)CN(C(=O)c2ccc(Br)c(Cl)c2)CC3)cc1.Cc1ccc(-n2c(=O)c3c(n4ncc(CC5CC5)c24)CN(C(=O)c2ccc(Br)c(Cl)c2)CC3)cc1.Cc1ccc(-n2c(=O)c3c(n4ncc(Cc5cccc(F)c5)c24)CN(C(=O)c2ccc(Br)c(Cl)c2)CC3)cc1.O=C(c1ccc(Br)c(Cl)c1)N1CCc2c(n3ncc(Cc4ccccc4)c3n(-c3ccc(-c4ncc[nH]4)cc3)c2=O)C1.[C-]#[N+]c1cc(C(=O)N2CCc3c(n4ncc(Cc5ccc(C)cc5)c4n(-c4ccc(C(=O)NC)cc4)c3=O)C2)ccc1Br.

What is the InChIKey of 5-benzyl-12-(4-bromo-3-chlorobenzoyl)-7-[4-(1H-imidazol-2-yl)phenyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;5-benzyl-12-(4-bromo-3-chlorobenzoyl)-7-(3-propanoylphenyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-5-(cyclopropylmethyl)-7-(4-methylphenyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-5-[(3-fluorophenyl)methyl]-7-(4-methylphenyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-7-(4-methylphenyl)-5-(2-methylpropyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-7-(4-methylphenyl)-5-prop-2-ynyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;4-[12-(4-bromo-3-isocyanobenzoyl)-5-[(4-methylphenyl)methyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide?

The InChIKey is FNVBLNZYWKKFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H27BrN6O3.C32H24BrClN6O2.C32H26BrClN4O3.C30H23BrClFN4O2.C27H24BrClN4O2.C27H26BrClN4O2.C26H20BrClN4O2/c1-20-4-6-21(7-5-20)16-24-18-37-40-29-19-38(32(42)23-10-13-27(34)28(17-23)35-2)15-14-26(29)33(43)39(31(24)40)25-11-8-22(9-12-25)30(41)36-3;33-26-11-8-22(17-27(26)34)31(41)38-15-12-25-28(19-38)40-30(23(18-37-40)16-20-4-2-1-3-5-20)39(32(25)42)24-9-6-21(7-10-24)29-35-13-14-36-29;1-2-29(39)21-9-6-10-24(16-21)37-30-23(15-20-7-4-3-5-8-20)18-35-38(30)28-19-36(14-13-25(28)32(37)41)31(40)22-11-12-26(33)27(34)17-22;1-18-5-8-23(9-6-18)36-28-21(13-19-3-2-4-22(33)14-19)16-34-37(28)27-17-35(12-11-24(27)30(36)39)29(38)20-7-10-25(31)26(32)15-20;1-16-2-7-20(8-3-16)32-25-19(12-17-4-5-17)14-30-33(25)24-15-31(11-10-21(24)27(32)35)26(34)18-6-9-22(28)23(29)13-18;1-16(2)12-19-14-30-33-24-15-31(26(34)18-6-9-22(28)23(29)13-18)11-10-21(24)27(35)32(25(19)33)20-7-4-17(3)5-8-20;1-3-4-18-14-29-32-23-15-30(25(33)17-7-10-21(27)22(28)13-17)12-11-20(23)26(34)31(24(18)32)19-8-5-16(2)6-9-19/h4-13,17-18H,14-16,19H2,1,3H3,(H,36,41);1-11,13-14,17-18H,12,15-16,19H2,(H,35,36);3-12,16-18H,2,13-15,19H2,1H3;2-10,14-16H,11-13,17H2,1H3;2-3,6-9,13-14,17H,4-5,10-12,15H2,1H3;4-9,13-14,16H,10-12,15H2,1-3H3;1,5-10,13-14H,4,11-12,15H2,2H3.

What are the key properties of 5-benzyl-12-(4-bromo-3-chlorobenzoyl)-7-[4-(1H-imidazol-2-yl)phenyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;5-benzyl-12-(4-bromo-3-chlorobenzoyl)-7-(3-propanoylphenyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-5-(cyclopropylmethyl)-7-(4-methylphenyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-5-[(3-fluorophenyl)methyl]-7-(4-methylphenyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-7-(4-methylphenyl)-5-(2-methylpropyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-7-(4-methylphenyl)-5-prop-2-ynyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;4-[12-(4-bromo-3-isocyanobenzoyl)-5-[(4-methylphenyl)methyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide?

5-benzyl-12-(4-bromo-3-chlorobenzoyl)-7-[4-(1H-imidazol-2-yl)phenyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;5-benzyl-12-(4-bromo-3-chlorobenzoyl)-7-(3-propanoylphenyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-5-(cyclopropylmethyl)-7-(4-methylphenyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-5-[(3-fluorophenyl)methyl]-7-(4-methylphenyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-7-(4-methylphenyl)-5-(2-methylpropyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-7-(4-methylphenyl)-5-prop-2-ynyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;4-[12-(4-bromo-3-isocyanobenzoyl)-5-[(4-methylphenyl)methyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide has a molecular weight of 4152.89 g/mol, XLogP of 39.31, 31 rotatable bonds, 2 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 5-benzyl-12-(4-bromo-3-chlorobenzoyl)-7-[4-(1H-imidazol-2-yl)phenyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;5-benzyl-12-(4-bromo-3-chlorobenzoyl)-7-(3-propanoylphenyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-5-(cyclopropylmethyl)-7-(4-methylphenyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-5-[(3-fluorophenyl)methyl]-7-(4-methylphenyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-7-(4-methylphenyl)-5-(2-methylpropyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-7-(4-methylphenyl)-5-prop-2-ynyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;4-[12-(4-bromo-3-isocyanobenzoyl)-5-[(4-methylphenyl)methyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide is sourced from PubChem (CID 164981436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).