4-[5-benzyl-12-(4-bromo-3-chlorobenzoyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-2-chloro-N-methylbenzamide;4-[5-benzyl-12-(4-bromo-3-chlorobenzoyl)-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;4-[12-(4-bromo-3-chlorobenzoyl)-5-[(4-cyanophenyl)methyl]-8-oxo-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)-5-[2-(4-methylphenyl)ethyl]-8-oxo-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-(2-phenylethyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide

C190H154Br3Cl10N31O18 — CID 161108790

About 4-[5-benzyl-12-(4-bromo-3-chlorobenzoyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-2-chloro-N-methylbenzamide;4-[5-benzyl-12-(4-bromo-3-chlorobenzoyl)-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;4-[12-(4-bromo-3-chlorobenzoyl)-5-[(4-cyanophenyl)methyl]-8-oxo-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)-5-[2-(4-methylphenyl)ethyl]-8-oxo-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-(2-phenylethyl)-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-chlorobenzoyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-2-chloro-N-methylbenzamide;4-[5-benzyl-12-(4-bromo-3-chlorobenzoyl)-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;4-[12-(4-bromo-3-chlorobenzoyl)-5-[(4-cyanophenyl)methyl]-8-oxo-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)-5-[2-(4-methylphenyl)ethyl]-8-oxo-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-(2-phenylethyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide (PubChem CID 161108790) has the molecular formula C190H154Br3Cl10N31O18 and a molecular weight of 3753.76 g/mol. Its IUPAC name is 4-[5-benzyl-12-(4-bromo-3-chlorobenzoyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-2-chloro-N-methylbenzamide;4-[5-benzyl-12-(4-bromo-3-chlorobenzoyl)-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;4-[12-(4-bromo-3-chlorobenzoyl)-5-[(4-cyanophenyl)methyl]-8-oxo-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)-5-[2-(4-methylphenyl)ethyl]-8-oxo-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-(2-phenylethyl)-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-chlorobenzoyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-2-chloro-N-methylbenzamide;4-[5-benzyl-12-(4-bromo-3-chlorobenzoyl)-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;4-[12-(4-bromo-3-chlorobenzoyl)-5-[(4-cyanophenyl)methyl]-8-oxo-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)-5-[2-(4-methylphenyl)ethyl]-8-oxo-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-(2-phenylethyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide
• PubChem CID: 161108790
• Molecular Formula: C190H154Br3Cl10N31O18
• Molecular Weight: 3753.76 g/mol
• Exact Mass: 3743.65
• IUPAC Name: 4-[5-benzyl-12-(4-bromo-3-chlorobenzoyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-2-chloro-N-methylbenzamide;4-[5-benzyl-12-(4-bromo-3-chlorobenzoyl)-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;4-[12-(4-bromo-3-chlorobenzoyl)-5-[(4-cyanophenyl)methyl]-8-oxo-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)-5-[2-(4-methylphenyl)ethyl]-8-oxo-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-(2-phenylethyl)-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(CCc5ccc(C)cc5)c24)CN(C(=O)c2ccc(Cl)c(Cl)c2)CC3)cc1.CNC(=O)c1ccc(-n2c(=O)c3c(n4ncc(CCc5ccccc5)c24)CN(C(=O)c2ccc(Cl)c(Cl)c2)CC3)cc1.CNC(=O)c1ccc(-n2c(=O)c3c(n4ncc(Cc5ccc(C#N)cc5)c24)CN(C(=O)c2ccc(Br)c(Cl)c2)CC3)cc1.CNC(=O)c1ccc(-n2c(=O)c3c(n4ncc(Cc5ccccc5)c24)CN(C(=O)c2ccc(Br)c(Cl)c2)CC3)cc1.CNC(=O)c1ccc(-n2c(=O)c3c(n4ncc(Cc5ccccc5)c24)CN(C(=O)c2ccc(Br)c(Cl)c2)CC3)cc1Cl.CNC(=O)c1ccc(-n2c(=O)c3c(n4ncc(Cc5ccccc5)c24)CN(C(=O)c2ccc(Cl)c(Cl)c2)CC3)cc1
• InChI: InChI=1S/C33H29Cl2N5O3.C32H24BrClN6O3.C32H27Cl2N5O3.C31H24BrCl2N5O3.C31H25BrClN5O3.C31H25Cl2N5O3/c1-20-3-5-21(6-4-20)7-8-24-18-37-40-29-19-38(32(42)23-11-14-27(34)28(35)17-23)16-15-26(29)33(43)39(31(24)40)25-12-9-22(10-13-25)30(41)36-2;1-36-29(41)21-6-9-24(10-7-21)39-30-23(14-19-2-4-20(16-35)5-3-19)17-37-40(30)28-18-38(13-12-25(28)32(39)43)31(42)22-8-11-26(33)27(34)15-22;1-35-29(40)21-9-12-24(13-10-21)38-30-23(8-7-20-5-3-2-4-6-20)18-36-39(30)28-19-37(16-15-25(28)32(38)42)31(41)22-11-14-26(33)27(34)17-22;1-35-28(40)22-9-8-21(15-25(22)33)38-29-20(13-18-5-3-2-4-6-18)16-36-39(29)27-17-37(12-11-23(27)31(38)42)30(41)19-7-10-24(32)26(34)14-19;2*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/h3-6,9-14,17-18H,7-8,15-16,19H2,1-2H3,(H,36,41);2-11,15,17H,12-14,18H2,1H3,(H,36,41);2-6,9-14,17-18H,7-8,15-16,19H2,1H3,(H,35,40);2-10,14-16H,11-13,17H2,1H3,(H,35,40);2*2-12,16-17H,13-15,18H2,1H3,(H,34,39)
• InChIKey: UJKOEZKEBUGCEA-UHFFFAOYSA-N
• XLogP: 31.19
• TPSA: 556.05 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 37
• Rotatable Bonds: 32
• Heavy Atoms: 252
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3753.76
LogP ≤ 5	31.19
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of 4-[5-benzyl-12-(4-bromo-3-chlorobenzoyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-2-chloro-N-methylbenzamide;4-[5-benzyl-12-(4-bromo-3-chlorobenzoyl)-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;4-[12-(4-bromo-3-chlorobenzoyl)-5-[(4-cyanophenyl)methyl]-8-oxo-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)-5-[2-(4-methylphenyl)ethyl]-8-oxo-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-(2-phenylethyl)-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-chlorobenzoyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-2-chloro-N-methylbenzamide;4-[5-benzyl-12-(4-bromo-3-chlorobenzoyl)-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;4-[12-(4-bromo-3-chlorobenzoyl)-5-[(4-cyanophenyl)methyl]-8-oxo-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)-5-[2-(4-methylphenyl)ethyl]-8-oxo-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-(2-phenylethyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide (CID 161108790) is 4-[5-benzyl-12-(4-bromo-3-chlorobenzoyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-2-chloro-N-methylbenzamide;4-[5-benzyl-12-(4-bromo-3-chlorobenzoyl)-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;4-[12-(4-bromo-3-chlorobenzoyl)-5-[(4-cyanophenyl)methyl]-8-oxo-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)-5-[2-(4-methylphenyl)ethyl]-8-oxo-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-(2-phenylethyl)-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-chlorobenzoyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-2-chloro-N-methylbenzamide;4-[5-benzyl-12-(4-bromo-3-chlorobenzoyl)-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;4-[12-(4-bromo-3-chlorobenzoyl)-5-[(4-cyanophenyl)methyl]-8-oxo-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)-5-[2-(4-methylphenyl)ethyl]-8-oxo-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-(2-phenylethyl)-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-chlorobenzoyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-2-chloro-N-methylbenzamide;4-[5-benzyl-12-(4-bromo-3-chlorobenzoyl)-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;4-[12-(4-bromo-3-chlorobenzoyl)-5-[(4-cyanophenyl)methyl]-8-oxo-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)-5-[2-(4-methylphenyl)ethyl]-8-oxo-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-(2-phenylethyl)-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(CCc5ccc(C)cc5)c24)CN(C(=O)c2ccc(Cl)c(Cl)c2)CC3)cc1.CNC(=O)c1ccc(-n2c(=O)c3c(n4ncc(CCc5ccccc5)c24)CN(C(=O)c2ccc(Cl)c(Cl)c2)CC3)cc1.CNC(=O)c1ccc(-n2c(=O)c3c(n4ncc(Cc5ccc(C#N)cc5)c24)CN(C(=O)c2ccc(Br)c(Cl)c2)CC3)cc1.CNC(=O)c1ccc(-n2c(=O)c3c(n4ncc(Cc5ccccc5)c24)CN(C(=O)c2ccc(Br)c(Cl)c2)CC3)cc1.CNC(=O)c1ccc(-n2c(=O)c3c(n4ncc(Cc5ccccc5)c24)CN(C(=O)c2ccc(Br)c(Cl)c2)CC3)cc1Cl.CNC(=O)c1ccc(-n2c(=O)c3c(n4ncc(Cc5ccccc5)c24)CN(C(=O)c2ccc(Cl)c(Cl)c2)CC3)cc1.

What is the InChIKey of 4-[5-benzyl-12-(4-bromo-3-chlorobenzoyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-2-chloro-N-methylbenzamide;4-[5-benzyl-12-(4-bromo-3-chlorobenzoyl)-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;4-[12-(4-bromo-3-chlorobenzoyl)-5-[(4-cyanophenyl)methyl]-8-oxo-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)-5-[2-(4-methylphenyl)ethyl]-8-oxo-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-(2-phenylethyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide?

The InChIKey is UJKOEZKEBUGCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29Cl2N5O3.C32H24BrClN6O3.C32H27Cl2N5O3.C31H24BrCl2N5O3.C31H25BrClN5O3.C31H25Cl2N5O3/c1-20-3-5-21(6-4-20)7-8-24-18-37-40-29-19-38(32(42)23-11-14-27(34)28(35)17-23)16-15-26(29)33(43)39(31(24)40)25-12-9-22(10-13-25)30(41)36-2;1-36-29(41)21-6-9-24(10-7-21)39-30-23(14-19-2-4-20(16-35)5-3-19)17-37-40(30)28-18-38(13-12-25(28)32(39)43)31(42)22-8-11-26(33)27(34)15-22;1-35-29(40)21-9-12-24(13-10-21)38-30-23(8-7-20-5-3-2-4-6-20)18-36-39(30)28-19-37(16-15-25(28)32(38)42)31(41)22-11-14-26(33)27(34)17-22;1-35-28(40)22-9-8-21(15-25(22)33)38-29-20(13-18-5-3-2-4-6-18)16-36-39(29)27-17-37(12-11-23(27)31(38)42)30(41)19-7-10-24(32)26(34)14-19;2*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/h3-6,9-14,17-18H,7-8,15-16,19H2,1-2H3,(H,36,41);2-11,15,17H,12-14,18H2,1H3,(H,36,41);2-6,9-14,17-18H,7-8,15-16,19H2,1H3,(H,35,40);2-10,14-16H,11-13,17H2,1H3,(H,35,40);2*2-12,16-17H,13-15,18H2,1H3,(H,34,39).

What are the key properties of 4-[5-benzyl-12-(4-bromo-3-chlorobenzoyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-2-chloro-N-methylbenzamide;4-[5-benzyl-12-(4-bromo-3-chlorobenzoyl)-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;4-[12-(4-bromo-3-chlorobenzoyl)-5-[(4-cyanophenyl)methyl]-8-oxo-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)-5-[2-(4-methylphenyl)ethyl]-8-oxo-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-(2-phenylethyl)-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-chlorobenzoyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-2-chloro-N-methylbenzamide;4-[5-benzyl-12-(4-bromo-3-chlorobenzoyl)-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;4-[12-(4-bromo-3-chlorobenzoyl)-5-[(4-cyanophenyl)methyl]-8-oxo-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)-5-[2-(4-methylphenyl)ethyl]-8-oxo-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-(2-phenylethyl)-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 3753.76 g/mol, XLogP of 31.19, 32 rotatable bonds, 6 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-benzyl-12-(4-bromo-3-chlorobenzoyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-2-chloro-N-methylbenzamide;4-[5-benzyl-12-(4-bromo-3-chlorobenzoyl)-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;4-[12-(4-bromo-3-chlorobenzoyl)-5-[(4-cyanophenyl)methyl]-8-oxo-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)-5-[2-(4-methylphenyl)ethyl]-8-oxo-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-(2-phenylethyl)-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 161108790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).