4-[12-(4-bromo-3-chlorobenzoyl)-5-[(4-fluorophenyl)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-(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)-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

C196H162Br4Cl8FN31O22 — CID 157370372

About 4-[12-(4-bromo-3-chlorobenzoyl)-5-[(4-fluorophenyl)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-(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)-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)-5-[(4-fluorophenyl)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-(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)-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 (PubChem CID 157370372) has the molecular formula C196H162Br4Cl8FN31O22 and a molecular weight of 3925.88 g/mol. Its IUPAC name is 4-[12-(4-bromo-3-chlorobenzoyl)-5-[(4-fluorophenyl)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-(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)-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.

Molecular Properties

• Compound Name: 4-[12-(4-bromo-3-chlorobenzoyl)-5-[(4-fluorophenyl)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-(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)-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
• PubChem CID: 157370372
• Molecular Formula: C196H162Br4Cl8FN31O22
• Molecular Weight: 3925.88 g/mol
• Exact Mass: 3915.67
• IUPAC Name: 4-[12-(4-bromo-3-chlorobenzoyl)-5-[(4-fluorophenyl)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-(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)-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
• SMILES: 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(CCc5ccc(OCC(C)=O)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(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.CNC(=O)c1ccc(-n2c(=O)c3c(n4ncc(Cc5ccc(F)cc5)c24)CN(C(=O)c2ccc(Br)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.C35H31Cl2N5O5.C32H27BrClN5O3.C32H24Cl2N6O3.C31H24BrClFN5O3.C31H25BrClN5O3/c2*1-21(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;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;1-35-28(40)19-4-9-23(10-5-19)38-29-21(14-18-2-7-22(34)8-3-18)16-36-39(29)27-17-37(13-12-24(27)31(38)42)30(41)20-6-11-25(32)26(33)15-20;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/h2*4-5,7-14,17-18H,3,6,15-16,19-20H2,1-2H3,(H,38,44);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);2-11,15-16H,12-14,17H2,1H3,(H,35,40);1-5,8-13,16-17H,6-7,14-15,18H2,(H2,34,39)
• InChIKey: BJROQDJDZDMLIB-UHFFFAOYSA-N
• XLogP: 30.55
• TPSA: 622.64 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 41
• Rotatable Bonds: 40
• Heavy Atoms: 262
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3925.88
LogP ≤ 5	30.55
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	41

Frequently Asked Questions

What is the IUPAC name of 4-[12-(4-bromo-3-chlorobenzoyl)-5-[(4-fluorophenyl)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-(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)-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?

The IUPAC name of 4-[12-(4-bromo-3-chlorobenzoyl)-5-[(4-fluorophenyl)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-(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)-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 (CID 157370372) is 4-[12-(4-bromo-3-chlorobenzoyl)-5-[(4-fluorophenyl)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-(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)-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.

What is the SMILES notation for 4-[12-(4-bromo-3-chlorobenzoyl)-5-[(4-fluorophenyl)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-(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)-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?

The canonical SMILES for 4-[12-(4-bromo-3-chlorobenzoyl)-5-[(4-fluorophenyl)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-(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)-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 is 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(CCc5ccc(OCC(C)=O)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(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.CNC(=O)c1ccc(-n2c(=O)c3c(n4ncc(Cc5ccc(F)cc5)c24)CN(C(=O)c2ccc(Br)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 4-[12-(4-bromo-3-chlorobenzoyl)-5-[(4-fluorophenyl)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-(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)-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?

The InChIKey is BJROQDJDZDMLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H31BrClN5O5.C35H31Cl2N5O5.C32H27BrClN5O3.C32H24Cl2N6O3.C31H24BrClFN5O3.C31H25BrClN5O3/c2*1-21(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;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;1-35-28(40)19-4-9-23(10-5-19)38-29-21(14-18-2-7-22(34)8-3-18)16-36-39(29)27-17-37(13-12-24(27)31(38)42)30(41)20-6-11-25(32)26(33)15-20;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/h2*4-5,7-14,17-18H,3,6,15-16,19-20H2,1-2H3,(H,38,44);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);2-11,15-16H,12-14,17H2,1H3,(H,35,40);1-5,8-13,16-17H,6-7,14-15,18H2,(H2,34,39).

What are the key properties of 4-[12-(4-bromo-3-chlorobenzoyl)-5-[(4-fluorophenyl)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-(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)-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)-5-[(4-fluorophenyl)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-(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)-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 has a molecular weight of 3925.88 g/mol, XLogP of 30.55, 40 rotatable bonds, 6 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[12-(4-bromo-3-chlorobenzoyl)-5-[(4-fluorophenyl)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-(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)-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 is sourced from PubChem (CID 157370372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).