4-[5-benzyl-12-(4-bromo-3-isocyanobenzoyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;4-[5-benzyl-12-(3,4-dichlorobenzoyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;5-(benzylsulfonylmethyl)-12-(4-bromo-3-chlorobenzoyl)-7-(4-methoxyphenyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;4-[12-(4-bromo-3-chlorobenzoyl)-8-oxo-5-[[4-(trifluoromethoxy)phenyl]methyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;4-[12-(3,4-dichlorobenzoyl)-8-oxo-5-[[4-(trifluoromethoxy)phenyl]methyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide

C158H124Br3Cl6F6N25O19S — CID 158654825

About 4-[5-benzyl-12-(4-bromo-3-isocyanobenzoyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;4-[5-benzyl-12-(3,4-dichlorobenzoyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;5-(benzylsulfonylmethyl)-12-(4-bromo-3-chlorobenzoyl)-7-(4-methoxyphenyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;4-[12-(4-bromo-3-chlorobenzoyl)-8-oxo-5-[[4-(trifluoromethoxy)phenyl]methyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;4-[12-(3,4-dichlorobenzoyl)-8-oxo-5-[[4-(trifluoromethoxy)phenyl]methyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide

4-[5-benzyl-12-(4-bromo-3-isocyanobenzoyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;4-[5-benzyl-12-(3,4-dichlorobenzoyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;5-(benzylsulfonylmethyl)-12-(4-bromo-3-chlorobenzoyl)-7-(4-methoxyphenyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;4-[12-(4-bromo-3-chlorobenzoyl)-8-oxo-5-[[4-(trifluoromethoxy)phenyl]methyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;4-[12-(3,4-dichlorobenzoyl)-8-oxo-5-[[4-(trifluoromethoxy)phenyl]methyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide (PubChem CID 158654825) has the molecular formula C158H124Br3Cl6F6N25O19S and a molecular weight of 3275.37 g/mol. Its IUPAC name is 4-[5-benzyl-12-(4-bromo-3-isocyanobenzoyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;4-[5-benzyl-12-(3,4-dichlorobenzoyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;5-(benzylsulfonylmethyl)-12-(4-bromo-3-chlorobenzoyl)-7-(4-methoxyphenyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;4-[12-(4-bromo-3-chlorobenzoyl)-8-oxo-5-[[4-(trifluoromethoxy)phenyl]methyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;4-[12-(3,4-dichlorobenzoyl)-8-oxo-5-[[4-(trifluoromethoxy)phenyl]methyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide.

Molecular Properties

• Compound Name: 4-[5-benzyl-12-(4-bromo-3-isocyanobenzoyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;4-[5-benzyl-12-(3,4-dichlorobenzoyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;5-(benzylsulfonylmethyl)-12-(4-bromo-3-chlorobenzoyl)-7-(4-methoxyphenyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;4-[12-(4-bromo-3-chlorobenzoyl)-8-oxo-5-[[4-(trifluoromethoxy)phenyl]methyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;4-[12-(3,4-dichlorobenzoyl)-8-oxo-5-[[4-(trifluoromethoxy)phenyl]methyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide
• PubChem CID: 158654825
• Molecular Formula: C158H124Br3Cl6F6N25O19S
• Molecular Weight: 3275.37 g/mol
• Exact Mass: 3267.48
• IUPAC Name: 4-[5-benzyl-12-(4-bromo-3-isocyanobenzoyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;4-[5-benzyl-12-(3,4-dichlorobenzoyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;5-(benzylsulfonylmethyl)-12-(4-bromo-3-chlorobenzoyl)-7-(4-methoxyphenyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;4-[12-(4-bromo-3-chlorobenzoyl)-8-oxo-5-[[4-(trifluoromethoxy)phenyl]methyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;4-[12-(3,4-dichlorobenzoyl)-8-oxo-5-[[4-(trifluoromethoxy)phenyl]methyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide
• SMILES: CNC(=O)c1ccc(-n2c(=O)c3c(n4ncc(Cc5ccc(OC(F)(F)F)cc5)c24)CN(C(=O)c2ccc(Br)c(Cl)c2)CC3)cc1.CNC(=O)c1ccc(-n2c(=O)c3c(n4ncc(Cc5ccc(OC(F)(F)F)cc5)c24)CN(C(=O)c2ccc(Cl)c(Cl)c2)CC3)cc1.CNC(=O)c1ccc(-n2c(=O)c3c(n4ncc(Cc5ccccc5)c24)CN(C(=O)c2ccc(Cl)c(Cl)c2)CC3)cc1.COc1ccc(-n2c(=O)c3c(n4ncc(CS(=O)(=O)Cc5ccccc5)c24)CN(C(=O)c2ccc(Br)c(Cl)c2)CC3)cc1.[C-]#[N+]c1cc(C(=O)N2CCc3c(n4ncc(Cc5ccccc5)c4n(-c4ccc(C(=O)NC)cc4)c3=O)C2)ccc1Br
• InChI: InChI=1S/C32H24BrClF3N5O4.C32H25BrN6O3.C32H24Cl2F3N5O4.C31H26BrClN4O5S.C31H25Cl2N5O3/c1-38-28(43)19-4-7-22(8-5-19)41-29-21(14-18-2-9-23(10-3-18)46-32(35,36)37)16-39-42(29)27-17-40(13-12-24(27)31(41)45)30(44)20-6-11-25(33)26(34)15-20;1-34-27-17-22(10-13-26(27)33)31(41)37-15-14-25-28(19-37)39-30(23(18-36-39)16-20-6-4-3-5-7-20)38(32(25)42)24-11-8-21(9-12-24)29(40)35-2;1-38-28(43)19-4-7-22(8-5-19)41-29-21(14-18-2-9-23(10-3-18)46-32(35,36)37)16-39-42(29)27-17-40(13-12-24(27)31(41)45)30(44)20-6-11-25(33)26(34)15-20;1-42-24-10-8-23(9-11-24)36-29-22(19-43(40,41)18-20-5-3-2-4-6-20)16-34-37(29)28-17-35(14-13-25(28)31(36)39)30(38)21-7-12-26(32)27(33)15-21;1-34-28(39)20-7-10-23(11-8-20)37-29-22(15-19-5-3-2-4-6-19)17-35-38(29)27-18-36(14-13-24(27)31(37)41)30(40)21-9-12-25(32)26(33)16-21/h2-11,15-16H,12-14,17H2,1H3,(H,38,43);3-13,17-18H,14-16,19H2,2H3,(H,35,40);2-11,15-16H,12-14,17H2,1H3,(H,38,43);2-12,15-16H,13-14,17-19H2,1H3;2-12,16-17H,13-15,18H2,1H3,(H,34,39)
• InChIKey: IBZQPMPSMYAIPF-UHFFFAOYSA-N
• XLogP: 26.90
• TPSA: 480.64 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 34
• Rotatable Bonds: 29
• Heavy Atoms: 218
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3275.37
LogP ≤ 5	26.90
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[5-benzyl-12-(4-bromo-3-isocyanobenzoyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;4-[5-benzyl-12-(3,4-dichlorobenzoyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;5-(benzylsulfonylmethyl)-12-(4-bromo-3-chlorobenzoyl)-7-(4-methoxyphenyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;4-[12-(4-bromo-3-chlorobenzoyl)-8-oxo-5-[[4-(trifluoromethoxy)phenyl]methyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;4-[12-(3,4-dichlorobenzoyl)-8-oxo-5-[[4-(trifluoromethoxy)phenyl]methyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide?

The IUPAC name of 4-[5-benzyl-12-(4-bromo-3-isocyanobenzoyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;4-[5-benzyl-12-(3,4-dichlorobenzoyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;5-(benzylsulfonylmethyl)-12-(4-bromo-3-chlorobenzoyl)-7-(4-methoxyphenyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;4-[12-(4-bromo-3-chlorobenzoyl)-8-oxo-5-[[4-(trifluoromethoxy)phenyl]methyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;4-[12-(3,4-dichlorobenzoyl)-8-oxo-5-[[4-(trifluoromethoxy)phenyl]methyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide (CID 158654825) is 4-[5-benzyl-12-(4-bromo-3-isocyanobenzoyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;4-[5-benzyl-12-(3,4-dichlorobenzoyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;5-(benzylsulfonylmethyl)-12-(4-bromo-3-chlorobenzoyl)-7-(4-methoxyphenyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;4-[12-(4-bromo-3-chlorobenzoyl)-8-oxo-5-[[4-(trifluoromethoxy)phenyl]methyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;4-[12-(3,4-dichlorobenzoyl)-8-oxo-5-[[4-(trifluoromethoxy)phenyl]methyl]-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 4-[5-benzyl-12-(4-bromo-3-isocyanobenzoyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;4-[5-benzyl-12-(3,4-dichlorobenzoyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;5-(benzylsulfonylmethyl)-12-(4-bromo-3-chlorobenzoyl)-7-(4-methoxyphenyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;4-[12-(4-bromo-3-chlorobenzoyl)-8-oxo-5-[[4-(trifluoromethoxy)phenyl]methyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;4-[12-(3,4-dichlorobenzoyl)-8-oxo-5-[[4-(trifluoromethoxy)phenyl]methyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide?

The canonical SMILES for 4-[5-benzyl-12-(4-bromo-3-isocyanobenzoyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;4-[5-benzyl-12-(3,4-dichlorobenzoyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;5-(benzylsulfonylmethyl)-12-(4-bromo-3-chlorobenzoyl)-7-(4-methoxyphenyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;4-[12-(4-bromo-3-chlorobenzoyl)-8-oxo-5-[[4-(trifluoromethoxy)phenyl]methyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;4-[12-(3,4-dichlorobenzoyl)-8-oxo-5-[[4-(trifluoromethoxy)phenyl]methyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide is CNC(=O)c1ccc(-n2c(=O)c3c(n4ncc(Cc5ccc(OC(F)(F)F)cc5)c24)CN(C(=O)c2ccc(Br)c(Cl)c2)CC3)cc1.CNC(=O)c1ccc(-n2c(=O)c3c(n4ncc(Cc5ccc(OC(F)(F)F)cc5)c24)CN(C(=O)c2ccc(Cl)c(Cl)c2)CC3)cc1.CNC(=O)c1ccc(-n2c(=O)c3c(n4ncc(Cc5ccccc5)c24)CN(C(=O)c2ccc(Cl)c(Cl)c2)CC3)cc1.COc1ccc(-n2c(=O)c3c(n4ncc(CS(=O)(=O)Cc5ccccc5)c24)CN(C(=O)c2ccc(Br)c(Cl)c2)CC3)cc1.[C-]#[N+]c1cc(C(=O)N2CCc3c(n4ncc(Cc5ccccc5)c4n(-c4ccc(C(=O)NC)cc4)c3=O)C2)ccc1Br.

What is the InChIKey of 4-[5-benzyl-12-(4-bromo-3-isocyanobenzoyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;4-[5-benzyl-12-(3,4-dichlorobenzoyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;5-(benzylsulfonylmethyl)-12-(4-bromo-3-chlorobenzoyl)-7-(4-methoxyphenyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;4-[12-(4-bromo-3-chlorobenzoyl)-8-oxo-5-[[4-(trifluoromethoxy)phenyl]methyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;4-[12-(3,4-dichlorobenzoyl)-8-oxo-5-[[4-(trifluoromethoxy)phenyl]methyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide?

The InChIKey is IBZQPMPSMYAIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24BrClF3N5O4.C32H25BrN6O3.C32H24Cl2F3N5O4.C31H26BrClN4O5S.C31H25Cl2N5O3/c1-38-28(43)19-4-7-22(8-5-19)41-29-21(14-18-2-9-23(10-3-18)46-32(35,36)37)16-39-42(29)27-17-40(13-12-24(27)31(41)45)30(44)20-6-11-25(33)26(34)15-20;1-34-27-17-22(10-13-26(27)33)31(41)37-15-14-25-28(19-37)39-30(23(18-36-39)16-20-6-4-3-5-7-20)38(32(25)42)24-11-8-21(9-12-24)29(40)35-2;1-38-28(43)19-4-7-22(8-5-19)41-29-21(14-18-2-9-23(10-3-18)46-32(35,36)37)16-39-42(29)27-17-40(13-12-24(27)31(41)45)30(44)20-6-11-25(33)26(34)15-20;1-42-24-10-8-23(9-11-24)36-29-22(19-43(40,41)18-20-5-3-2-4-6-20)16-34-37(29)28-17-35(14-13-25(28)31(36)39)30(38)21-7-12-26(32)27(33)15-21;1-34-28(39)20-7-10-23(11-8-20)37-29-22(15-19-5-3-2-4-6-19)17-35-38(29)27-18-36(14-13-24(27)31(37)41)30(40)21-9-12-25(32)26(33)16-21/h2-11,15-16H,12-14,17H2,1H3,(H,38,43);3-13,17-18H,14-16,19H2,2H3,(H,35,40);2-11,15-16H,12-14,17H2,1H3,(H,38,43);2-12,15-16H,13-14,17-19H2,1H3;2-12,16-17H,13-15,18H2,1H3,(H,34,39).

What are the key properties of 4-[5-benzyl-12-(4-bromo-3-isocyanobenzoyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;4-[5-benzyl-12-(3,4-dichlorobenzoyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;5-(benzylsulfonylmethyl)-12-(4-bromo-3-chlorobenzoyl)-7-(4-methoxyphenyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;4-[12-(4-bromo-3-chlorobenzoyl)-8-oxo-5-[[4-(trifluoromethoxy)phenyl]methyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;4-[12-(3,4-dichlorobenzoyl)-8-oxo-5-[[4-(trifluoromethoxy)phenyl]methyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide?

4-[5-benzyl-12-(4-bromo-3-isocyanobenzoyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;4-[5-benzyl-12-(3,4-dichlorobenzoyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;5-(benzylsulfonylmethyl)-12-(4-bromo-3-chlorobenzoyl)-7-(4-methoxyphenyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;4-[12-(4-bromo-3-chlorobenzoyl)-8-oxo-5-[[4-(trifluoromethoxy)phenyl]methyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;4-[12-(3,4-dichlorobenzoyl)-8-oxo-5-[[4-(trifluoromethoxy)phenyl]methyl]-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 3275.37 g/mol, XLogP of 26.90, 29 rotatable bonds, 4 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-benzyl-12-(4-bromo-3-isocyanobenzoyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;4-[5-benzyl-12-(3,4-dichlorobenzoyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;5-(benzylsulfonylmethyl)-12-(4-bromo-3-chlorobenzoyl)-7-(4-methoxyphenyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;4-[12-(4-bromo-3-chlorobenzoyl)-8-oxo-5-[[4-(trifluoromethoxy)phenyl]methyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;4-[12-(3,4-dichlorobenzoyl)-8-oxo-5-[[4-(trifluoromethoxy)phenyl]methyl]-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 158654825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).