(11S)-12-(4-bromo-3-chlorobenzoyl)-11-methyl-7-[4-(5-methyl-1H-imidazol-4-yl)phenyl]-5-(2-methylpropyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one;(11S)-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-7-[4-(5-methyl-1H-imidazol-4-yl)phenyl]-5-(2-methylpropyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one;(11R)-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-7-[4-(5-methyl-1H-imidazol-4-yl)phenyl]-5-(2-methylpropyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one;(11S)-12-[4-chloro-3-(trifluoromethyl)benzoyl]-11-methyl-7-[4-(5-methyl-1H-imidazol-4-yl)phenyl]-5-(2-methylpropyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one;(11R)-12-[4-chloro-3-(trifluoromethyl)benzoyl]-11-methyl-7-[4-(5-methyl-1H-imidazol-4-yl)phenyl]-5-(2-methylpropyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one

C159H160Br3Cl3F12N30O10 — CID 165039328

About (11S)-12-(4-bromo-3-chlorobenzoyl)-11-methyl-7-[4-(5-methyl-1H-imidazol-4-yl)phenyl]-5-(2-methylpropyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one;(11S)-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-7-[4-(5-methyl-1H-imidazol-4-yl)phenyl]-5-(2-methylpropyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one;(11R)-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-7-[4-(5-methyl-1H-imidazol-4-yl)phenyl]-5-(2-methylpropyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one;(11S)-12-[4-chloro-3-(trifluoromethyl)benzoyl]-11-methyl-7-[4-(5-methyl-1H-imidazol-4-yl)phenyl]-5-(2-methylpropyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one;(11R)-12-[4-chloro-3-(trifluoromethyl)benzoyl]-11-methyl-7-[4-(5-methyl-1H-imidazol-4-yl)phenyl]-5-(2-methylpropyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one

(11S)-12-(4-bromo-3-chlorobenzoyl)-11-methyl-7-[4-(5-methyl-1H-imidazol-4-yl)phenyl]-5-(2-methylpropyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one;(11S)-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-7-[4-(5-methyl-1H-imidazol-4-yl)phenyl]-5-(2-methylpropyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one;(11R)-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-7-[4-(5-methyl-1H-imidazol-4-yl)phenyl]-5-(2-methylpropyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one;(11S)-12-[4-chloro-3-(trifluoromethyl)benzoyl]-11-methyl-7-[4-(5-methyl-1H-imidazol-4-yl)phenyl]-5-(2-methylpropyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one;(11R)-12-[4-chloro-3-(trifluoromethyl)benzoyl]-11-methyl-7-[4-(5-methyl-1H-imidazol-4-yl)phenyl]-5-(2-methylpropyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one (PubChem CID 165039328) has the molecular formula C159H160Br3Cl3F12N30O10 and a molecular weight of 3225.28 g/mol. Its IUPAC name is (11S)-12-(4-bromo-3-chlorobenzoyl)-11-methyl-7-[4-(5-methyl-1H-imidazol-4-yl)phenyl]-5-(2-methylpropyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one;(11S)-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-7-[4-(5-methyl-1H-imidazol-4-yl)phenyl]-5-(2-methylpropyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one;(11R)-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-7-[4-(5-methyl-1H-imidazol-4-yl)phenyl]-5-(2-methylpropyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one;(11S)-12-[4-chloro-3-(trifluoromethyl)benzoyl]-11-methyl-7-[4-(5-methyl-1H-imidazol-4-yl)phenyl]-5-(2-methylpropyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one;(11R)-12-[4-chloro-3-(trifluoromethyl)benzoyl]-11-methyl-7-[4-(5-methyl-1H-imidazol-4-yl)phenyl]-5-(2-methylpropyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one.

Molecular Properties

• Compound Name: (11S)-12-(4-bromo-3-chlorobenzoyl)-11-methyl-7-[4-(5-methyl-1H-imidazol-4-yl)phenyl]-5-(2-methylpropyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one;(11S)-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-7-[4-(5-methyl-1H-imidazol-4-yl)phenyl]-5-(2-methylpropyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one;(11R)-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-7-[4-(5-methyl-1H-imidazol-4-yl)phenyl]-5-(2-methylpropyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one;(11S)-12-[4-chloro-3-(trifluoromethyl)benzoyl]-11-methyl-7-[4-(5-methyl-1H-imidazol-4-yl)phenyl]-5-(2-methylpropyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one;(11R)-12-[4-chloro-3-(trifluoromethyl)benzoyl]-11-methyl-7-[4-(5-methyl-1H-imidazol-4-yl)phenyl]-5-(2-methylpropyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one
• PubChem CID: 165039328
• Molecular Formula: C159H160Br3Cl3F12N30O10
• Molecular Weight: 3225.28 g/mol
• Exact Mass: 3218.94
• IUPAC Name: (11S)-12-(4-bromo-3-chlorobenzoyl)-11-methyl-7-[4-(5-methyl-1H-imidazol-4-yl)phenyl]-5-(2-methylpropyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one;(11S)-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-7-[4-(5-methyl-1H-imidazol-4-yl)phenyl]-5-(2-methylpropyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one;(11R)-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-7-[4-(5-methyl-1H-imidazol-4-yl)phenyl]-5-(2-methylpropyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one;(11S)-12-[4-chloro-3-(trifluoromethyl)benzoyl]-11-methyl-7-[4-(5-methyl-1H-imidazol-4-yl)phenyl]-5-(2-methylpropyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one;(11R)-12-[4-chloro-3-(trifluoromethyl)benzoyl]-11-methyl-7-[4-(5-methyl-1H-imidazol-4-yl)phenyl]-5-(2-methylpropyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one
• SMILES: Cc1[nH]cnc1-c1ccc(N2C(=O)C3C[C@@H](C)N(C(=O)c4ccc(Br)c(C(F)(F)F)c4)CC3n3ncc(CC(C)C)c32)cc1.Cc1[nH]cnc1-c1ccc(N2C(=O)C3C[C@@H](C)N(C(=O)c4ccc(Cl)c(C(F)(F)F)c4)CC3n3ncc(CC(C)C)c32)cc1.Cc1[nH]cnc1-c1ccc(N2C(=O)C3C[C@H](C)N(C(=O)c4ccc(Br)c(C(F)(F)F)c4)CC3n3ncc(CC(C)C)c32)cc1.Cc1[nH]cnc1-c1ccc(N2C(=O)C3C[C@H](C)N(C(=O)c4ccc(Br)c(Cl)c4)CC3n3ncc(CC(C)C)c32)cc1.Cc1[nH]cnc1-c1ccc(N2C(=O)C3C[C@H](C)N(C(=O)c4ccc(Cl)c(C(F)(F)F)c4)CC3n3ncc(CC(C)C)c32)cc1
• InChI: InChI=1S/2C32H32BrF3N6O2.2C32H32ClF3N6O2.C31H32BrClN6O2/c4*1-17(2)11-22-14-39-42-27-15-40(30(43)21-7-10-26(33)25(13-21)32(34,35)36)18(3)12-24(27)31(44)41(29(22)42)23-8-5-20(6-9-23)28-19(4)37-16-38-28;1-17(2)11-22-14-36-39-27-15-37(30(40)21-7-10-25(32)26(33)13-21)18(3)12-24(27)31(41)38(29(22)39)23-8-5-20(6-9-23)28-19(4)34-16-35-28/h4*5-10,13-14,16-18,24,27H,11-12,15H2,1-4H3,(H,37,38);5-10,13-14,16-18,24,27H,11-12,15H2,1-4H3,(H,34,35)/t5*18-,24?,27?/m10100/s1
• InChIKey: NWKLZUGLMLLXRV-AJPUZFLYSA-N
• XLogP: 36.07
• TPSA: 435.60 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 25
• Rotatable Bonds: 25
• Heavy Atoms: 217
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3225.28
LogP ≤ 5	36.07
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of (11S)-12-(4-bromo-3-chlorobenzoyl)-11-methyl-7-[4-(5-methyl-1H-imidazol-4-yl)phenyl]-5-(2-methylpropyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one;(11S)-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-7-[4-(5-methyl-1H-imidazol-4-yl)phenyl]-5-(2-methylpropyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one;(11R)-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-7-[4-(5-methyl-1H-imidazol-4-yl)phenyl]-5-(2-methylpropyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one;(11S)-12-[4-chloro-3-(trifluoromethyl)benzoyl]-11-methyl-7-[4-(5-methyl-1H-imidazol-4-yl)phenyl]-5-(2-methylpropyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one;(11R)-12-[4-chloro-3-(trifluoromethyl)benzoyl]-11-methyl-7-[4-(5-methyl-1H-imidazol-4-yl)phenyl]-5-(2-methylpropyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one?

The IUPAC name of (11S)-12-(4-bromo-3-chlorobenzoyl)-11-methyl-7-[4-(5-methyl-1H-imidazol-4-yl)phenyl]-5-(2-methylpropyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one;(11S)-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-7-[4-(5-methyl-1H-imidazol-4-yl)phenyl]-5-(2-methylpropyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one;(11R)-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-7-[4-(5-methyl-1H-imidazol-4-yl)phenyl]-5-(2-methylpropyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one;(11S)-12-[4-chloro-3-(trifluoromethyl)benzoyl]-11-methyl-7-[4-(5-methyl-1H-imidazol-4-yl)phenyl]-5-(2-methylpropyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one;(11R)-12-[4-chloro-3-(trifluoromethyl)benzoyl]-11-methyl-7-[4-(5-methyl-1H-imidazol-4-yl)phenyl]-5-(2-methylpropyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one (CID 165039328) is (11S)-12-(4-bromo-3-chlorobenzoyl)-11-methyl-7-[4-(5-methyl-1H-imidazol-4-yl)phenyl]-5-(2-methylpropyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one;(11S)-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-7-[4-(5-methyl-1H-imidazol-4-yl)phenyl]-5-(2-methylpropyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one;(11R)-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-7-[4-(5-methyl-1H-imidazol-4-yl)phenyl]-5-(2-methylpropyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one;(11S)-12-[4-chloro-3-(trifluoromethyl)benzoyl]-11-methyl-7-[4-(5-methyl-1H-imidazol-4-yl)phenyl]-5-(2-methylpropyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one;(11R)-12-[4-chloro-3-(trifluoromethyl)benzoyl]-11-methyl-7-[4-(5-methyl-1H-imidazol-4-yl)phenyl]-5-(2-methylpropyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one.

What is the SMILES notation for (11S)-12-(4-bromo-3-chlorobenzoyl)-11-methyl-7-[4-(5-methyl-1H-imidazol-4-yl)phenyl]-5-(2-methylpropyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one;(11S)-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-7-[4-(5-methyl-1H-imidazol-4-yl)phenyl]-5-(2-methylpropyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one;(11R)-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-7-[4-(5-methyl-1H-imidazol-4-yl)phenyl]-5-(2-methylpropyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one;(11S)-12-[4-chloro-3-(trifluoromethyl)benzoyl]-11-methyl-7-[4-(5-methyl-1H-imidazol-4-yl)phenyl]-5-(2-methylpropyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one;(11R)-12-[4-chloro-3-(trifluoromethyl)benzoyl]-11-methyl-7-[4-(5-methyl-1H-imidazol-4-yl)phenyl]-5-(2-methylpropyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one?

The canonical SMILES for (11S)-12-(4-bromo-3-chlorobenzoyl)-11-methyl-7-[4-(5-methyl-1H-imidazol-4-yl)phenyl]-5-(2-methylpropyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one;(11S)-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-7-[4-(5-methyl-1H-imidazol-4-yl)phenyl]-5-(2-methylpropyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one;(11R)-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-7-[4-(5-methyl-1H-imidazol-4-yl)phenyl]-5-(2-methylpropyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one;(11S)-12-[4-chloro-3-(trifluoromethyl)benzoyl]-11-methyl-7-[4-(5-methyl-1H-imidazol-4-yl)phenyl]-5-(2-methylpropyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one;(11R)-12-[4-chloro-3-(trifluoromethyl)benzoyl]-11-methyl-7-[4-(5-methyl-1H-imidazol-4-yl)phenyl]-5-(2-methylpropyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one is Cc1[nH]cnc1-c1ccc(N2C(=O)C3C[C@@H](C)N(C(=O)c4ccc(Br)c(C(F)(F)F)c4)CC3n3ncc(CC(C)C)c32)cc1.Cc1[nH]cnc1-c1ccc(N2C(=O)C3C[C@@H](C)N(C(=O)c4ccc(Cl)c(C(F)(F)F)c4)CC3n3ncc(CC(C)C)c32)cc1.Cc1[nH]cnc1-c1ccc(N2C(=O)C3C[C@H](C)N(C(=O)c4ccc(Br)c(C(F)(F)F)c4)CC3n3ncc(CC(C)C)c32)cc1.Cc1[nH]cnc1-c1ccc(N2C(=O)C3C[C@H](C)N(C(=O)c4ccc(Br)c(Cl)c4)CC3n3ncc(CC(C)C)c32)cc1.Cc1[nH]cnc1-c1ccc(N2C(=O)C3C[C@H](C)N(C(=O)c4ccc(Cl)c(C(F)(F)F)c4)CC3n3ncc(CC(C)C)c32)cc1.

What is the InChIKey of (11S)-12-(4-bromo-3-chlorobenzoyl)-11-methyl-7-[4-(5-methyl-1H-imidazol-4-yl)phenyl]-5-(2-methylpropyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one;(11S)-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-7-[4-(5-methyl-1H-imidazol-4-yl)phenyl]-5-(2-methylpropyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one;(11R)-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-7-[4-(5-methyl-1H-imidazol-4-yl)phenyl]-5-(2-methylpropyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one;(11S)-12-[4-chloro-3-(trifluoromethyl)benzoyl]-11-methyl-7-[4-(5-methyl-1H-imidazol-4-yl)phenyl]-5-(2-methylpropyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one;(11R)-12-[4-chloro-3-(trifluoromethyl)benzoyl]-11-methyl-7-[4-(5-methyl-1H-imidazol-4-yl)phenyl]-5-(2-methylpropyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one?

The InChIKey is NWKLZUGLMLLXRV-AJPUZFLYSA-N. The full InChI is InChI=1S/2C32H32BrF3N6O2.2C32H32ClF3N6O2.C31H32BrClN6O2/c4*1-17(2)11-22-14-39-42-27-15-40(30(43)21-7-10-26(33)25(13-21)32(34,35)36)18(3)12-24(27)31(44)41(29(22)42)23-8-5-20(6-9-23)28-19(4)37-16-38-28;1-17(2)11-22-14-36-39-27-15-37(30(40)21-7-10-25(32)26(33)13-21)18(3)12-24(27)31(41)38(29(22)39)23-8-5-20(6-9-23)28-19(4)34-16-35-28/h4*5-10,13-14,16-18,24,27H,11-12,15H2,1-4H3,(H,37,38);5-10,13-14,16-18,24,27H,11-12,15H2,1-4H3,(H,34,35)/t5*18-,24?,27?/m10100/s1.

What are the key properties of (11S)-12-(4-bromo-3-chlorobenzoyl)-11-methyl-7-[4-(5-methyl-1H-imidazol-4-yl)phenyl]-5-(2-methylpropyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one;(11S)-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-7-[4-(5-methyl-1H-imidazol-4-yl)phenyl]-5-(2-methylpropyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one;(11R)-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-7-[4-(5-methyl-1H-imidazol-4-yl)phenyl]-5-(2-methylpropyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one;(11S)-12-[4-chloro-3-(trifluoromethyl)benzoyl]-11-methyl-7-[4-(5-methyl-1H-imidazol-4-yl)phenyl]-5-(2-methylpropyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one;(11R)-12-[4-chloro-3-(trifluoromethyl)benzoyl]-11-methyl-7-[4-(5-methyl-1H-imidazol-4-yl)phenyl]-5-(2-methylpropyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one?

(11S)-12-(4-bromo-3-chlorobenzoyl)-11-methyl-7-[4-(5-methyl-1H-imidazol-4-yl)phenyl]-5-(2-methylpropyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one;(11S)-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-7-[4-(5-methyl-1H-imidazol-4-yl)phenyl]-5-(2-methylpropyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one;(11R)-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-7-[4-(5-methyl-1H-imidazol-4-yl)phenyl]-5-(2-methylpropyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one;(11S)-12-[4-chloro-3-(trifluoromethyl)benzoyl]-11-methyl-7-[4-(5-methyl-1H-imidazol-4-yl)phenyl]-5-(2-methylpropyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one;(11R)-12-[4-chloro-3-(trifluoromethyl)benzoyl]-11-methyl-7-[4-(5-methyl-1H-imidazol-4-yl)phenyl]-5-(2-methylpropyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one has a molecular weight of 3225.28 g/mol, XLogP of 36.07, 25 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for (11S)-12-(4-bromo-3-chlorobenzoyl)-11-methyl-7-[4-(5-methyl-1H-imidazol-4-yl)phenyl]-5-(2-methylpropyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one;(11S)-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-7-[4-(5-methyl-1H-imidazol-4-yl)phenyl]-5-(2-methylpropyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one;(11R)-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-7-[4-(5-methyl-1H-imidazol-4-yl)phenyl]-5-(2-methylpropyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one;(11S)-12-[4-chloro-3-(trifluoromethyl)benzoyl]-11-methyl-7-[4-(5-methyl-1H-imidazol-4-yl)phenyl]-5-(2-methylpropyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one;(11R)-12-[4-chloro-3-(trifluoromethyl)benzoyl]-11-methyl-7-[4-(5-methyl-1H-imidazol-4-yl)phenyl]-5-(2-methylpropyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-one is sourced from PubChem (CID 165039328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).