bis(4-[12-(4-bromo-3-chlorobenzoyl)-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-(4-bromo-3-chlorobenzoyl)-8-oxo-5-[2-[4-(2-oxopropoxy)phenyl]ethyl]-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)-8-oxo-5-(2-phenylethyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]benzamide;4-[12-(4-bromo-3-chlorobenzoyl)-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-[(4-cyanophenyl)methyl]-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-(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

C229H194Br5Cl9N36O23 — CID 158274905

About bis(4-[12-(4-bromo-3-chlorobenzoyl)-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-(4-bromo-3-chlorobenzoyl)-8-oxo-5-[2-[4-(2-oxopropoxy)phenyl]ethyl]-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)-8-oxo-5-(2-phenylethyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]benzamide;4-[12-(4-bromo-3-chlorobenzoyl)-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-[(4-cyanophenyl)methyl]-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-(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

bis(4-[12-(4-bromo-3-chlorobenzoyl)-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-(4-bromo-3-chlorobenzoyl)-8-oxo-5-[2-[4-(2-oxopropoxy)phenyl]ethyl]-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)-8-oxo-5-(2-phenylethyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]benzamide;4-[12-(4-bromo-3-chlorobenzoyl)-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-[(4-cyanophenyl)methyl]-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-(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 (PubChem CID 158274905) has the molecular formula C229H194Br5Cl9N36O23 and a molecular weight of 4536.90 g/mol. Its IUPAC name is bis(4-[12-(4-bromo-3-chlorobenzoyl)-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-(4-bromo-3-chlorobenzoyl)-8-oxo-5-[2-[4-(2-oxopropoxy)phenyl]ethyl]-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)-8-oxo-5-(2-phenylethyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]benzamide;4-[12-(4-bromo-3-chlorobenzoyl)-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-[(4-cyanophenyl)methyl]-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-(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.

Molecular Properties

• Compound Name: bis(4-[12-(4-bromo-3-chlorobenzoyl)-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-(4-bromo-3-chlorobenzoyl)-8-oxo-5-[2-[4-(2-oxopropoxy)phenyl]ethyl]-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)-8-oxo-5-(2-phenylethyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]benzamide;4-[12-(4-bromo-3-chlorobenzoyl)-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-[(4-cyanophenyl)methyl]-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-(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
• PubChem CID: 158274905
• Molecular Formula: C229H194Br5Cl9N36O23
• Molecular Weight: 4536.90 g/mol
• Exact Mass: 4524.82
• IUPAC Name: bis(4-[12-(4-bromo-3-chlorobenzoyl)-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-(4-bromo-3-chlorobenzoyl)-8-oxo-5-[2-[4-(2-oxopropoxy)phenyl]ethyl]-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)-8-oxo-5-(2-phenylethyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]benzamide;4-[12-(4-bromo-3-chlorobenzoyl)-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-[(4-cyanophenyl)methyl]-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-(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
• SMILES: CNC(=O)c1ccc(-n2c(=O)c3c(n4ncc(CCc5ccc(C)cc5)c24)CN(C(=O)c2ccc(Br)c(Cl)c2)CC3)cc1.CNC(=O)c1ccc(-n2c(=O)c3c(n4ncc(CCc5ccc(C)cc5)c24)CN(C(=O)c2ccc(Br)c(Cl)c2)CC3)cc1.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(CCc5ccc(OCC(C)=O)cc5)c24)CN(C(=O)c2ccc(Br)c(Cl)c2)CC3)cc1.CNC(=O)c1ccc(-n2c(=O)c3c(n4ncc(CCc5ccccc5)c24)CN(C(=O)c2ccc(Br)c(Cl)c2)CC3)cc1.CNC(=O)c1ccc(-n2c(=O)c3c(n4ncc(Cc5ccc(C#N)cc5)c24)CN(C(=O)c2ccc(Cl)c(Cl)c2)CC3)cc1.NC(=O)c1ccc(-n2c(=O)c3c(n4ncc(CCc5ccccc5)c24)CN(C(=O)c2ccc(Br)c(Cl)c2)CC3)cc1
• InChI: InChI=1S/C35H31BrClN5O5.2C33H29BrClN5O3.C33H29Cl2N5O3.C32H27BrClN5O3.C32H24Cl2N6O3.C31H25BrClN5O3/c1-21(43)20-47-27-12-4-22(5-13-27)3-6-25-18-39-42-31-19-40(34(45)24-9-14-29(36)30(37)17-24)16-15-28(31)35(46)41(33(25)42)26-10-7-23(8-11-26)32(44)38-2;3*1-20-3-5-21(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;1-35-29(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;1-36-29(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;32-25-13-10-21(16-26(25)33)30(40)36-15-14-24-27(18-36)38-29(22(17-35-38)7-6-19-4-2-1-3-5-19)37(31(24)41)23-11-8-20(9-12-23)28(34)39/h4-5,7-14,17-18H,3,6,15-16,19-20H2,1-2H3,(H,38,44);3*3-6,9-14,17-18H,7-8,15-16,19H2,1-2H3,(H,36,41);2-6,9-14,17-18H,7-8,15-16,19H2,1H3,(H,35,40);2-11,15,17H,12-14,18H2,1H3,(H,36,41);1-5,8-13,16-17H,6-7,14-15,18H2,(H2,34,39)
• InChIKey: GJMJMJIHBWYJMG-UHFFFAOYSA-N
• XLogP: 36.80
• TPSA: 685.05 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 45
• Rotatable Bonds: 44
• Heavy Atoms: 302
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4536.90
LogP ≤ 5	36.80
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	45

Frequently Asked Questions

What is the IUPAC name of bis(4-[12-(4-bromo-3-chlorobenzoyl)-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-(4-bromo-3-chlorobenzoyl)-8-oxo-5-[2-[4-(2-oxopropoxy)phenyl]ethyl]-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)-8-oxo-5-(2-phenylethyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]benzamide;4-[12-(4-bromo-3-chlorobenzoyl)-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-[(4-cyanophenyl)methyl]-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-(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?

The IUPAC name of bis(4-[12-(4-bromo-3-chlorobenzoyl)-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-(4-bromo-3-chlorobenzoyl)-8-oxo-5-[2-[4-(2-oxopropoxy)phenyl]ethyl]-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)-8-oxo-5-(2-phenylethyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]benzamide;4-[12-(4-bromo-3-chlorobenzoyl)-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-[(4-cyanophenyl)methyl]-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-(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 (CID 158274905) is bis(4-[12-(4-bromo-3-chlorobenzoyl)-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-(4-bromo-3-chlorobenzoyl)-8-oxo-5-[2-[4-(2-oxopropoxy)phenyl]ethyl]-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)-8-oxo-5-(2-phenylethyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]benzamide;4-[12-(4-bromo-3-chlorobenzoyl)-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-[(4-cyanophenyl)methyl]-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-(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.

What is the SMILES notation for bis(4-[12-(4-bromo-3-chlorobenzoyl)-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-(4-bromo-3-chlorobenzoyl)-8-oxo-5-[2-[4-(2-oxopropoxy)phenyl]ethyl]-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)-8-oxo-5-(2-phenylethyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]benzamide;4-[12-(4-bromo-3-chlorobenzoyl)-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-[(4-cyanophenyl)methyl]-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-(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?

The canonical SMILES for bis(4-[12-(4-bromo-3-chlorobenzoyl)-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-(4-bromo-3-chlorobenzoyl)-8-oxo-5-[2-[4-(2-oxopropoxy)phenyl]ethyl]-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)-8-oxo-5-(2-phenylethyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]benzamide;4-[12-(4-bromo-3-chlorobenzoyl)-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-[(4-cyanophenyl)methyl]-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-(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 is CNC(=O)c1ccc(-n2c(=O)c3c(n4ncc(CCc5ccc(C)cc5)c24)CN(C(=O)c2ccc(Br)c(Cl)c2)CC3)cc1.CNC(=O)c1ccc(-n2c(=O)c3c(n4ncc(CCc5ccc(C)cc5)c24)CN(C(=O)c2ccc(Br)c(Cl)c2)CC3)cc1.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(CCc5ccc(OCC(C)=O)cc5)c24)CN(C(=O)c2ccc(Br)c(Cl)c2)CC3)cc1.CNC(=O)c1ccc(-n2c(=O)c3c(n4ncc(CCc5ccccc5)c24)CN(C(=O)c2ccc(Br)c(Cl)c2)CC3)cc1.CNC(=O)c1ccc(-n2c(=O)c3c(n4ncc(Cc5ccc(C#N)cc5)c24)CN(C(=O)c2ccc(Cl)c(Cl)c2)CC3)cc1.NC(=O)c1ccc(-n2c(=O)c3c(n4ncc(CCc5ccccc5)c24)CN(C(=O)c2ccc(Br)c(Cl)c2)CC3)cc1.

What is the InChIKey of bis(4-[12-(4-bromo-3-chlorobenzoyl)-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-(4-bromo-3-chlorobenzoyl)-8-oxo-5-[2-[4-(2-oxopropoxy)phenyl]ethyl]-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)-8-oxo-5-(2-phenylethyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]benzamide;4-[12-(4-bromo-3-chlorobenzoyl)-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-[(4-cyanophenyl)methyl]-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-(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?

The InChIKey is GJMJMJIHBWYJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H31BrClN5O5.2C33H29BrClN5O3.C33H29Cl2N5O3.C32H27BrClN5O3.C32H24Cl2N6O3.C31H25BrClN5O3/c1-21(43)20-47-27-12-4-22(5-13-27)3-6-25-18-39-42-31-19-40(34(45)24-9-14-29(36)30(37)17-24)16-15-28(31)35(46)41(33(25)42)26-10-7-23(8-11-26)32(44)38-2;3*1-20-3-5-21(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;1-35-29(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;1-36-29(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;32-25-13-10-21(16-26(25)33)30(40)36-15-14-24-27(18-36)38-29(22(17-35-38)7-6-19-4-2-1-3-5-19)37(31(24)41)23-11-8-20(9-12-23)28(34)39/h4-5,7-14,17-18H,3,6,15-16,19-20H2,1-2H3,(H,38,44);3*3-6,9-14,17-18H,7-8,15-16,19H2,1-2H3,(H,36,41);2-6,9-14,17-18H,7-8,15-16,19H2,1H3,(H,35,40);2-11,15,17H,12-14,18H2,1H3,(H,36,41);1-5,8-13,16-17H,6-7,14-15,18H2,(H2,34,39).

What are the key properties of bis(4-[12-(4-bromo-3-chlorobenzoyl)-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-(4-bromo-3-chlorobenzoyl)-8-oxo-5-[2-[4-(2-oxopropoxy)phenyl]ethyl]-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)-8-oxo-5-(2-phenylethyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]benzamide;4-[12-(4-bromo-3-chlorobenzoyl)-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-[(4-cyanophenyl)methyl]-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-(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?

bis(4-[12-(4-bromo-3-chlorobenzoyl)-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-(4-bromo-3-chlorobenzoyl)-8-oxo-5-[2-[4-(2-oxopropoxy)phenyl]ethyl]-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)-8-oxo-5-(2-phenylethyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]benzamide;4-[12-(4-bromo-3-chlorobenzoyl)-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-[(4-cyanophenyl)methyl]-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-(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 has a molecular weight of 4536.90 g/mol, XLogP of 36.80, 44 rotatable bonds, 7 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for bis(4-[12-(4-bromo-3-chlorobenzoyl)-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-(4-bromo-3-chlorobenzoyl)-8-oxo-5-[2-[4-(2-oxopropoxy)phenyl]ethyl]-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)-8-oxo-5-(2-phenylethyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]benzamide;4-[12-(4-bromo-3-chlorobenzoyl)-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-[(4-cyanophenyl)methyl]-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-(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 is sourced from PubChem (CID 158274905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).