(11S)-5-benzyl-12-[4-bromo-3-(trifluoromethyl)benzoyl]-7-[4-[5-(1,1-difluoroethyl)-1H-1,2,4-triazol-3-yl]phenyl]-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one;(11S)-5-benzyl-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-7-(1-methylbenzimidazol-5-yl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one;(11R)-5-benzyl-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-7-(1-methylbenzimidazol-5-yl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one;5-[(11S)-5-benzyl-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-7-yl]-N-methylpyrazine-2-carboxamide;5-[(11R)-5-benzyl-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-7-yl]-N-methylpyrazine-2-carboxamide

C163H139Br5F17N33O12 — CID 164956873

About (11S)-5-benzyl-12-[4-bromo-3-(trifluoromethyl)benzoyl]-7-[4-[5-(1,1-difluoroethyl)-1H-1,2,4-triazol-3-yl]phenyl]-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one;(11S)-5-benzyl-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-7-(1-methylbenzimidazol-5-yl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one;(11R)-5-benzyl-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-7-(1-methylbenzimidazol-5-yl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one;5-[(11S)-5-benzyl-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-7-yl]-N-methylpyrazine-2-carboxamide;5-[(11R)-5-benzyl-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-7-yl]-N-methylpyrazine-2-carboxamide

(11S)-5-benzyl-12-[4-bromo-3-(trifluoromethyl)benzoyl]-7-[4-[5-(1,1-difluoroethyl)-1H-1,2,4-triazol-3-yl]phenyl]-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one;(11S)-5-benzyl-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-7-(1-methylbenzimidazol-5-yl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one;(11R)-5-benzyl-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-7-(1-methylbenzimidazol-5-yl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one;5-[(11S)-5-benzyl-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-7-yl]-N-methylpyrazine-2-carboxamide;5-[(11R)-5-benzyl-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-7-yl]-N-methylpyrazine-2-carboxamide (PubChem CID 164956873) has the molecular formula C163H139Br5F17N33O12 and a molecular weight of 3474.61 g/mol. Its IUPAC name is (11S)-5-benzyl-12-[4-bromo-3-(trifluoromethyl)benzoyl]-7-[4-[5-(1,1-difluoroethyl)-1H-1,2,4-triazol-3-yl]phenyl]-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one;(11S)-5-benzyl-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-7-(1-methylbenzimidazol-5-yl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one;(11R)-5-benzyl-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-7-(1-methylbenzimidazol-5-yl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one;5-[(11S)-5-benzyl-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-7-yl]-N-methylpyrazine-2-carboxamide;5-[(11R)-5-benzyl-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-7-yl]-N-methylpyrazine-2-carboxamide.

Molecular Properties

• Compound Name: (11S)-5-benzyl-12-[4-bromo-3-(trifluoromethyl)benzoyl]-7-[4-[5-(1,1-difluoroethyl)-1H-1,2,4-triazol-3-yl]phenyl]-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one;(11S)-5-benzyl-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-7-(1-methylbenzimidazol-5-yl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one;(11R)-5-benzyl-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-7-(1-methylbenzimidazol-5-yl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one;5-[(11S)-5-benzyl-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-7-yl]-N-methylpyrazine-2-carboxamide;5-[(11R)-5-benzyl-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-7-yl]-N-methylpyrazine-2-carboxamide
• PubChem CID: 164956873
• Molecular Formula: C163H139Br5F17N33O12
• Molecular Weight: 3474.61 g/mol
• Exact Mass: 3467.69
• IUPAC Name: (11S)-5-benzyl-12-[4-bromo-3-(trifluoromethyl)benzoyl]-7-[4-[5-(1,1-difluoroethyl)-1H-1,2,4-triazol-3-yl]phenyl]-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one;(11S)-5-benzyl-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-7-(1-methylbenzimidazol-5-yl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one;(11R)-5-benzyl-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-7-(1-methylbenzimidazol-5-yl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one;5-[(11S)-5-benzyl-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-7-yl]-N-methylpyrazine-2-carboxamide;5-[(11R)-5-benzyl-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-7-yl]-N-methylpyrazine-2-carboxamide
• SMILES: CNC(=O)c1cnc(N2C(=O)C3C[C@@H](C)N(C(=O)c4ccc(Br)c(C(F)(F)F)c4)CC3n3ncc(Cc4ccccc4)c32)cn1.CNC(=O)c1cnc(N2C(=O)C3C[C@H](C)N(C(=O)c4ccc(Br)c(C(F)(F)F)c4)CC3n3ncc(Cc4ccccc4)c32)cn1.C[C@@H]1CC2C(=O)N(c3ccc4c(c3)ncn4C)c3c(Cc4ccccc4)cnn3C2CN1C(=O)c1ccc(Br)c(C(F)(F)F)c1.C[C@H]1CC2C(=O)N(c3ccc(-c4n[nH]c(C(C)(F)F)n4)cc3)c3c(Cc4ccccc4)cnn3C2CN1C(=O)c1ccc(Br)c(C(F)(F)F)c1.C[C@H]1CC2C(=O)N(c3ccc4c(c3)ncn4C)c3c(Cc4ccccc4)cnn3C2CN1C(=O)c1ccc(Br)c(C(F)(F)F)c1
• InChI: InChI=1S/C35H29BrF5N7O2.2C33H28BrF3N6O2.2C31H27BrF3N7O3/c1-19-14-25-28(18-46(19)31(49)22-10-13-27(36)26(16-22)35(39,40)41)48-30(23(17-42-48)15-20-6-4-3-5-7-20)47(32(25)50)24-11-8-21(9-12-24)29-43-33(45-44-29)34(2,37)38;2*1-19-12-24-29(17-41(19)31(44)21-8-10-26(34)25(14-21)33(35,36)37)43-30(22(16-39-43)13-20-6-4-3-5-7-20)42(32(24)45)23-9-11-28-27(15-23)38-18-40(28)2;2*1-17-10-21-25(16-40(17)29(44)19-8-9-23(32)22(12-19)31(33,34)35)42-28(20(13-39-42)11-18-6-4-3-5-7-18)41(30(21)45)26-15-37-24(14-38-26)27(43)36-2/h3-13,16-17,19,25,28H,14-15,18H2,1-2H3,(H,43,44,45);2*3-11,14-16,18-19,24,29H,12-13,17H2,1-2H3;2*3-9,12-15,17,21,25H,10-11,16H2,1-2H3,(H,36,43)/t19-,25?,28?;2*19-,24?,29?;2*17-,21?,25?/m01010/s1
• InChIKey: BHGDHYIQXNAERO-YPKKZJSLSA-N
• XLogP: 32.10
• TPSA: 479.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 32
• Rotatable Bonds: 24
• Heavy Atoms: 230
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3474.61
LogP ≤ 5	32.10
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of (11S)-5-benzyl-12-[4-bromo-3-(trifluoromethyl)benzoyl]-7-[4-[5-(1,1-difluoroethyl)-1H-1,2,4-triazol-3-yl]phenyl]-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one;(11S)-5-benzyl-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-7-(1-methylbenzimidazol-5-yl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one;(11R)-5-benzyl-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-7-(1-methylbenzimidazol-5-yl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one;5-[(11S)-5-benzyl-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-7-yl]-N-methylpyrazine-2-carboxamide;5-[(11R)-5-benzyl-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-7-yl]-N-methylpyrazine-2-carboxamide?

The IUPAC name of (11S)-5-benzyl-12-[4-bromo-3-(trifluoromethyl)benzoyl]-7-[4-[5-(1,1-difluoroethyl)-1H-1,2,4-triazol-3-yl]phenyl]-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one;(11S)-5-benzyl-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-7-(1-methylbenzimidazol-5-yl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one;(11R)-5-benzyl-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-7-(1-methylbenzimidazol-5-yl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one;5-[(11S)-5-benzyl-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-7-yl]-N-methylpyrazine-2-carboxamide;5-[(11R)-5-benzyl-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-7-yl]-N-methylpyrazine-2-carboxamide (CID 164956873) is (11S)-5-benzyl-12-[4-bromo-3-(trifluoromethyl)benzoyl]-7-[4-[5-(1,1-difluoroethyl)-1H-1,2,4-triazol-3-yl]phenyl]-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one;(11S)-5-benzyl-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-7-(1-methylbenzimidazol-5-yl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one;(11R)-5-benzyl-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-7-(1-methylbenzimidazol-5-yl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one;5-[(11S)-5-benzyl-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-7-yl]-N-methylpyrazine-2-carboxamide;5-[(11R)-5-benzyl-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-7-yl]-N-methylpyrazine-2-carboxamide.

What is the SMILES notation for (11S)-5-benzyl-12-[4-bromo-3-(trifluoromethyl)benzoyl]-7-[4-[5-(1,1-difluoroethyl)-1H-1,2,4-triazol-3-yl]phenyl]-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one;(11S)-5-benzyl-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-7-(1-methylbenzimidazol-5-yl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one;(11R)-5-benzyl-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-7-(1-methylbenzimidazol-5-yl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one;5-[(11S)-5-benzyl-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-7-yl]-N-methylpyrazine-2-carboxamide;5-[(11R)-5-benzyl-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-7-yl]-N-methylpyrazine-2-carboxamide?

The canonical SMILES for (11S)-5-benzyl-12-[4-bromo-3-(trifluoromethyl)benzoyl]-7-[4-[5-(1,1-difluoroethyl)-1H-1,2,4-triazol-3-yl]phenyl]-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one;(11S)-5-benzyl-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-7-(1-methylbenzimidazol-5-yl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one;(11R)-5-benzyl-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-7-(1-methylbenzimidazol-5-yl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one;5-[(11S)-5-benzyl-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-7-yl]-N-methylpyrazine-2-carboxamide;5-[(11R)-5-benzyl-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-7-yl]-N-methylpyrazine-2-carboxamide is CNC(=O)c1cnc(N2C(=O)C3C[C@@H](C)N(C(=O)c4ccc(Br)c(C(F)(F)F)c4)CC3n3ncc(Cc4ccccc4)c32)cn1.CNC(=O)c1cnc(N2C(=O)C3C[C@H](C)N(C(=O)c4ccc(Br)c(C(F)(F)F)c4)CC3n3ncc(Cc4ccccc4)c32)cn1.C[C@@H]1CC2C(=O)N(c3ccc4c(c3)ncn4C)c3c(Cc4ccccc4)cnn3C2CN1C(=O)c1ccc(Br)c(C(F)(F)F)c1.C[C@H]1CC2C(=O)N(c3ccc(-c4n[nH]c(C(C)(F)F)n4)cc3)c3c(Cc4ccccc4)cnn3C2CN1C(=O)c1ccc(Br)c(C(F)(F)F)c1.C[C@H]1CC2C(=O)N(c3ccc4c(c3)ncn4C)c3c(Cc4ccccc4)cnn3C2CN1C(=O)c1ccc(Br)c(C(F)(F)F)c1.

What is the InChIKey of (11S)-5-benzyl-12-[4-bromo-3-(trifluoromethyl)benzoyl]-7-[4-[5-(1,1-difluoroethyl)-1H-1,2,4-triazol-3-yl]phenyl]-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one;(11S)-5-benzyl-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-7-(1-methylbenzimidazol-5-yl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one;(11R)-5-benzyl-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-7-(1-methylbenzimidazol-5-yl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one;5-[(11S)-5-benzyl-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-7-yl]-N-methylpyrazine-2-carboxamide;5-[(11R)-5-benzyl-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-7-yl]-N-methylpyrazine-2-carboxamide?

The InChIKey is BHGDHYIQXNAERO-YPKKZJSLSA-N. The full InChI is InChI=1S/C35H29BrF5N7O2.2C33H28BrF3N6O2.2C31H27BrF3N7O3/c1-19-14-25-28(18-46(19)31(49)22-10-13-27(36)26(16-22)35(39,40)41)48-30(23(17-42-48)15-20-6-4-3-5-7-20)47(32(25)50)24-11-8-21(9-12-24)29-43-33(45-44-29)34(2,37)38;2*1-19-12-24-29(17-41(19)31(44)21-8-10-26(34)25(14-21)33(35,36)37)43-30(22(16-39-43)13-20-6-4-3-5-7-20)42(32(24)45)23-9-11-28-27(15-23)38-18-40(28)2;2*1-17-10-21-25(16-40(17)29(44)19-8-9-23(32)22(12-19)31(33,34)35)42-28(20(13-39-42)11-18-6-4-3-5-7-18)41(30(21)45)26-15-37-24(14-38-26)27(43)36-2/h3-13,16-17,19,25,28H,14-15,18H2,1-2H3,(H,43,44,45);2*3-11,14-16,18-19,24,29H,12-13,17H2,1-2H3;2*3-9,12-15,17,21,25H,10-11,16H2,1-2H3,(H,36,43)/t19-,25?,28?;2*19-,24?,29?;2*17-,21?,25?/m01010/s1.

What are the key properties of (11S)-5-benzyl-12-[4-bromo-3-(trifluoromethyl)benzoyl]-7-[4-[5-(1,1-difluoroethyl)-1H-1,2,4-triazol-3-yl]phenyl]-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one;(11S)-5-benzyl-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-7-(1-methylbenzimidazol-5-yl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one;(11R)-5-benzyl-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-7-(1-methylbenzimidazol-5-yl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one;5-[(11S)-5-benzyl-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-7-yl]-N-methylpyrazine-2-carboxamide;5-[(11R)-5-benzyl-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-7-yl]-N-methylpyrazine-2-carboxamide?

(11S)-5-benzyl-12-[4-bromo-3-(trifluoromethyl)benzoyl]-7-[4-[5-(1,1-difluoroethyl)-1H-1,2,4-triazol-3-yl]phenyl]-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one;(11S)-5-benzyl-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-7-(1-methylbenzimidazol-5-yl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one;(11R)-5-benzyl-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-7-(1-methylbenzimidazol-5-yl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one;5-[(11S)-5-benzyl-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-7-yl]-N-methylpyrazine-2-carboxamide;5-[(11R)-5-benzyl-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-7-yl]-N-methylpyrazine-2-carboxamide has a molecular weight of 3474.61 g/mol, XLogP of 32.10, 24 rotatable bonds, 3 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for (11S)-5-benzyl-12-[4-bromo-3-(trifluoromethyl)benzoyl]-7-[4-[5-(1,1-difluoroethyl)-1H-1,2,4-triazol-3-yl]phenyl]-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one;(11S)-5-benzyl-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-7-(1-methylbenzimidazol-5-yl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one;(11R)-5-benzyl-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-7-(1-methylbenzimidazol-5-yl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one;5-[(11S)-5-benzyl-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-7-yl]-N-methylpyrazine-2-carboxamide;5-[(11R)-5-benzyl-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-7-yl]-N-methylpyrazine-2-carboxamide is sourced from PubChem (CID 164956873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).