[(4aR,6S)-6-[cyclopropyl-[methylidene-(1-methyl-1,2,4-triazol-3-yl)-oxo-λ6-sulfanyl]amino]-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-benzo[f]benzimidazol-4a-yl]-(4-methyl-2-pyridinyl)methanone;[(4aS,6S)-6-[cyclopropyl-[methylidene-(1-methyl-1,2,4-triazol-3-yl)-oxo-λ6-sulfanyl]amino]-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-benzo[f]indol-4a-yl]-(4-methyl-2-pyridinyl)methanone;[(4aR,6S)-1-(6-fluoro-3-pyridinyl)-6-[[methylidene-(1-methyl-1,2,4-triazol-3-yl)-oxo-λ6-sulfanyl]-(2,2,2-trifluoroethyl)amino]-5,6,7,8-tetrahydro-4H-benzo[f]benzimidazol-4a-yl]-(4-fluoro-2-pyridinyl)methanone;[(4aR,6S)-1-(6-fluoro-3-pyridinyl)-6-[[methylidene-(1-methyl-1,2,4-triazol-3-yl)-oxo-λ6-sulfanyl]-(2,2,2-trifluoroethyl)amino]-5,6,7,8-tetrahydro-4H-benzo[f]benzotriazol-4a-yl]-(4-fluoro-2-pyridinyl)methanone

C118H114F12N30O8S4 — CID 163864470

About [(4aR,6S)-6-[cyclopropyl-[methylidene-(1-methyl-1,2,4-triazol-3-yl)-oxo-λ6-sulfanyl]amino]-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-benzo[f]benzimidazol-4a-yl]-(4-methyl-2-pyridinyl)methanone;[(4aS,6S)-6-[cyclopropyl-[methylidene-(1-methyl-1,2,4-triazol-3-yl)-oxo-λ6-sulfanyl]amino]-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-benzo[f]indol-4a-yl]-(4-methyl-2-pyridinyl)methanone;[(4aR,6S)-1-(6-fluoro-3-pyridinyl)-6-[[methylidene-(1-methyl-1,2,4-triazol-3-yl)-oxo-λ6-sulfanyl]-(2,2,2-trifluoroethyl)amino]-5,6,7,8-tetrahydro-4H-benzo[f]benzimidazol-4a-yl]-(4-fluoro-2-pyridinyl)methanone;[(4aR,6S)-1-(6-fluoro-3-pyridinyl)-6-[[methylidene-(1-methyl-1,2,4-triazol-3-yl)-oxo-λ6-sulfanyl]-(2,2,2-trifluoroethyl)amino]-5,6,7,8-tetrahydro-4H-benzo[f]benzotriazol-4a-yl]-(4-fluoro-2-pyridinyl)methanone

[(4aR,6S)-6-[cyclopropyl-[methylidene-(1-methyl-1,2,4-triazol-3-yl)-oxo-λ6-sulfanyl]amino]-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-benzo[f]benzimidazol-4a-yl]-(4-methyl-2-pyridinyl)methanone;[(4aS,6S)-6-[cyclopropyl-[methylidene-(1-methyl-1,2,4-triazol-3-yl)-oxo-λ6-sulfanyl]amino]-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-benzo[f]indol-4a-yl]-(4-methyl-2-pyridinyl)methanone;[(4aR,6S)-1-(6-fluoro-3-pyridinyl)-6-[[methylidene-(1-methyl-1,2,4-triazol-3-yl)-oxo-λ6-sulfanyl]-(2,2,2-trifluoroethyl)amino]-5,6,7,8-tetrahydro-4H-benzo[f]benzimidazol-4a-yl]-(4-fluoro-2-pyridinyl)methanone;[(4aR,6S)-1-(6-fluoro-3-pyridinyl)-6-[[methylidene-(1-methyl-1,2,4-triazol-3-yl)-oxo-λ6-sulfanyl]-(2,2,2-trifluoroethyl)amino]-5,6,7,8-tetrahydro-4H-benzo[f]benzotriazol-4a-yl]-(4-fluoro-2-pyridinyl)methanone (PubChem CID 163864470) has the molecular formula C118H114F12N30O8S4 and a molecular weight of 2436.66 g/mol. Its IUPAC name is [(4aR,6S)-6-[cyclopropyl-[methylidene-(1-methyl-1,2,4-triazol-3-yl)-oxo-λ6-sulfanyl]amino]-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-benzo[f]benzimidazol-4a-yl]-(4-methyl-2-pyridinyl)methanone;[(4aS,6S)-6-[cyclopropyl-[methylidene-(1-methyl-1,2,4-triazol-3-yl)-oxo-λ6-sulfanyl]amino]-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-benzo[f]indol-4a-yl]-(4-methyl-2-pyridinyl)methanone;[(4aR,6S)-1-(6-fluoro-3-pyridinyl)-6-[[methylidene-(1-methyl-1,2,4-triazol-3-yl)-oxo-λ6-sulfanyl]-(2,2,2-trifluoroethyl)amino]-5,6,7,8-tetrahydro-4H-benzo[f]benzimidazol-4a-yl]-(4-fluoro-2-pyridinyl)methanone;[(4aR,6S)-1-(6-fluoro-3-pyridinyl)-6-[[methylidene-(1-methyl-1,2,4-triazol-3-yl)-oxo-λ6-sulfanyl]-(2,2,2-trifluoroethyl)amino]-5,6,7,8-tetrahydro-4H-benzo[f]benzotriazol-4a-yl]-(4-fluoro-2-pyridinyl)methanone.

Molecular Properties

• Compound Name: [(4aR,6S)-6-[cyclopropyl-[methylidene-(1-methyl-1,2,4-triazol-3-yl)-oxo-λ6-sulfanyl]amino]-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-benzo[f]benzimidazol-4a-yl]-(4-methyl-2-pyridinyl)methanone;[(4aS,6S)-6-[cyclopropyl-[methylidene-(1-methyl-1,2,4-triazol-3-yl)-oxo-λ6-sulfanyl]amino]-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-benzo[f]indol-4a-yl]-(4-methyl-2-pyridinyl)methanone;[(4aR,6S)-1-(6-fluoro-3-pyridinyl)-6-[[methylidene-(1-methyl-1,2,4-triazol-3-yl)-oxo-λ6-sulfanyl]-(2,2,2-trifluoroethyl)amino]-5,6,7,8-tetrahydro-4H-benzo[f]benzimidazol-4a-yl]-(4-fluoro-2-pyridinyl)methanone;[(4aR,6S)-1-(6-fluoro-3-pyridinyl)-6-[[methylidene-(1-methyl-1,2,4-triazol-3-yl)-oxo-λ6-sulfanyl]-(2,2,2-trifluoroethyl)amino]-5,6,7,8-tetrahydro-4H-benzo[f]benzotriazol-4a-yl]-(4-fluoro-2-pyridinyl)methanone
• PubChem CID: 163864470
• Molecular Formula: C118H114F12N30O8S4
• Molecular Weight: 2436.66 g/mol
• Exact Mass: 2434.81
• IUPAC Name: [(4aR,6S)-6-[cyclopropyl-[methylidene-(1-methyl-1,2,4-triazol-3-yl)-oxo-λ6-sulfanyl]amino]-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-benzo[f]benzimidazol-4a-yl]-(4-methyl-2-pyridinyl)methanone;[(4aS,6S)-6-[cyclopropyl-[methylidene-(1-methyl-1,2,4-triazol-3-yl)-oxo-λ6-sulfanyl]amino]-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-benzo[f]indol-4a-yl]-(4-methyl-2-pyridinyl)methanone;[(4aR,6S)-1-(6-fluoro-3-pyridinyl)-6-[[methylidene-(1-methyl-1,2,4-triazol-3-yl)-oxo-λ6-sulfanyl]-(2,2,2-trifluoroethyl)amino]-5,6,7,8-tetrahydro-4H-benzo[f]benzimidazol-4a-yl]-(4-fluoro-2-pyridinyl)methanone;[(4aR,6S)-1-(6-fluoro-3-pyridinyl)-6-[[methylidene-(1-methyl-1,2,4-triazol-3-yl)-oxo-λ6-sulfanyl]-(2,2,2-trifluoroethyl)amino]-5,6,7,8-tetrahydro-4H-benzo[f]benzotriazol-4a-yl]-(4-fluoro-2-pyridinyl)methanone
• SMILES: C=S(=O)(c1ncn(C)n1)N(C1CC1)[C@H]1CCC2=Cc3c(ccn3-c3ccc(F)cc3)C[C@]2(C(=O)c2cc(C)ccn2)C1.C=S(=O)(c1ncn(C)n1)N(C1CC1)[C@H]1CCC2=Cc3c(ncn3-c3ccc(F)cc3)C[C@]2(C(=O)c2cc(C)ccn2)C1.C=S(=O)(c1ncn(C)n1)N(CC(F)(F)F)[C@H]1CCC2=Cc3c(ncn3-c3ccc(F)nc3)C[C@]2(C(=O)c2cc(F)ccn2)C1.C=S(=O)(c1ncn(C)n1)N(CC(F)(F)F)[C@H]1CCC2=Cc3c(nnn3-c3ccc(F)nc3)C[C@]2(C(=O)c2cc(F)ccn2)C1
• InChI: InChI=1S/C32H33FN6O2S.C31H32FN7O2S.C28H25F5N8O2S.C27H24F5N9O2S/c1-21-12-14-34-28(16-21)30(40)32-18-22-13-15-38(25-8-5-24(33)6-9-25)29(22)17-23(32)4-7-27(19-32)39(26-10-11-26)42(3,41)31-35-20-37(2)36-31;1-20-12-13-33-26(14-20)29(40)31-16-25(39(24-10-11-24)42(3,41)30-35-18-37(2)36-30)7-4-21(31)15-28-27(17-31)34-19-38(28)23-8-5-22(32)6-9-23;1-39-15-37-26(38-39)44(2,43)41(14-28(31,32)33)19-4-3-17-9-23-22(36-16-40(23)20-5-6-24(30)35-13-20)12-27(17,11-19)25(42)21-10-18(29)7-8-34-21;1-39-15-35-25(37-39)44(2,43)40(14-27(30,31)32)18-4-3-16-9-22-21(36-38-41(22)19-5-6-23(29)34-13-19)12-26(16,11-18)24(42)20-10-17(28)7-8-33-20/h5-6,8-9,12-17,20,26-27H,3-4,7,10-11,18-19H2,1-2H3;5-6,8-9,12-15,18-19,24-25H,3-4,7,10-11,16-17H2,1-2H3;5-10,13,15-16,19H,2-4,11-12,14H2,1H3;5-10,13,15,18H,2-4,11-12,14H2,1H3/t27-,32-,42?;25-,31+,42?;19-,27+,44?;18-,26+,44?/m0000/s1
• InChIKey: PFLBRXLXXOUBGR-XZVQXRPBSA-N
• XLogP: 16.69
• TPSA: 420.98 Ų
• H-Bond Acceptors: 34
• Rotatable Bonds: 28
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2436.66
LogP ≤ 5	16.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(4aR,6S)-6-[cyclopropyl-[methylidene-(1-methyl-1,2,4-triazol-3-yl)-oxo-λ6-sulfanyl]amino]-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-benzo[f]benzimidazol-4a-yl]-(4-methyl-2-pyridinyl)methanone;[(4aS,6S)-6-[cyclopropyl-[methylidene-(1-methyl-1,2,4-triazol-3-yl)-oxo-λ6-sulfanyl]amino]-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-benzo[f]indol-4a-yl]-(4-methyl-2-pyridinyl)methanone;[(4aR,6S)-1-(6-fluoro-3-pyridinyl)-6-[[methylidene-(1-methyl-1,2,4-triazol-3-yl)-oxo-λ6-sulfanyl]-(2,2,2-trifluoroethyl)amino]-5,6,7,8-tetrahydro-4H-benzo[f]benzimidazol-4a-yl]-(4-fluoro-2-pyridinyl)methanone;[(4aR,6S)-1-(6-fluoro-3-pyridinyl)-6-[[methylidene-(1-methyl-1,2,4-triazol-3-yl)-oxo-λ6-sulfanyl]-(2,2,2-trifluoroethyl)amino]-5,6,7,8-tetrahydro-4H-benzo[f]benzotriazol-4a-yl]-(4-fluoro-2-pyridinyl)methanone?

The IUPAC name of [(4aR,6S)-6-[cyclopropyl-[methylidene-(1-methyl-1,2,4-triazol-3-yl)-oxo-λ6-sulfanyl]amino]-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-benzo[f]benzimidazol-4a-yl]-(4-methyl-2-pyridinyl)methanone;[(4aS,6S)-6-[cyclopropyl-[methylidene-(1-methyl-1,2,4-triazol-3-yl)-oxo-λ6-sulfanyl]amino]-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-benzo[f]indol-4a-yl]-(4-methyl-2-pyridinyl)methanone;[(4aR,6S)-1-(6-fluoro-3-pyridinyl)-6-[[methylidene-(1-methyl-1,2,4-triazol-3-yl)-oxo-λ6-sulfanyl]-(2,2,2-trifluoroethyl)amino]-5,6,7,8-tetrahydro-4H-benzo[f]benzimidazol-4a-yl]-(4-fluoro-2-pyridinyl)methanone;[(4aR,6S)-1-(6-fluoro-3-pyridinyl)-6-[[methylidene-(1-methyl-1,2,4-triazol-3-yl)-oxo-λ6-sulfanyl]-(2,2,2-trifluoroethyl)amino]-5,6,7,8-tetrahydro-4H-benzo[f]benzotriazol-4a-yl]-(4-fluoro-2-pyridinyl)methanone (CID 163864470) is [(4aR,6S)-6-[cyclopropyl-[methylidene-(1-methyl-1,2,4-triazol-3-yl)-oxo-λ6-sulfanyl]amino]-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-benzo[f]benzimidazol-4a-yl]-(4-methyl-2-pyridinyl)methanone;[(4aS,6S)-6-[cyclopropyl-[methylidene-(1-methyl-1,2,4-triazol-3-yl)-oxo-λ6-sulfanyl]amino]-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-benzo[f]indol-4a-yl]-(4-methyl-2-pyridinyl)methanone;[(4aR,6S)-1-(6-fluoro-3-pyridinyl)-6-[[methylidene-(1-methyl-1,2,4-triazol-3-yl)-oxo-λ6-sulfanyl]-(2,2,2-trifluoroethyl)amino]-5,6,7,8-tetrahydro-4H-benzo[f]benzimidazol-4a-yl]-(4-fluoro-2-pyridinyl)methanone;[(4aR,6S)-1-(6-fluoro-3-pyridinyl)-6-[[methylidene-(1-methyl-1,2,4-triazol-3-yl)-oxo-λ6-sulfanyl]-(2,2,2-trifluoroethyl)amino]-5,6,7,8-tetrahydro-4H-benzo[f]benzotriazol-4a-yl]-(4-fluoro-2-pyridinyl)methanone.

What is the SMILES notation for [(4aR,6S)-6-[cyclopropyl-[methylidene-(1-methyl-1,2,4-triazol-3-yl)-oxo-λ6-sulfanyl]amino]-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-benzo[f]benzimidazol-4a-yl]-(4-methyl-2-pyridinyl)methanone;[(4aS,6S)-6-[cyclopropyl-[methylidene-(1-methyl-1,2,4-triazol-3-yl)-oxo-λ6-sulfanyl]amino]-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-benzo[f]indol-4a-yl]-(4-methyl-2-pyridinyl)methanone;[(4aR,6S)-1-(6-fluoro-3-pyridinyl)-6-[[methylidene-(1-methyl-1,2,4-triazol-3-yl)-oxo-λ6-sulfanyl]-(2,2,2-trifluoroethyl)amino]-5,6,7,8-tetrahydro-4H-benzo[f]benzimidazol-4a-yl]-(4-fluoro-2-pyridinyl)methanone;[(4aR,6S)-1-(6-fluoro-3-pyridinyl)-6-[[methylidene-(1-methyl-1,2,4-triazol-3-yl)-oxo-λ6-sulfanyl]-(2,2,2-trifluoroethyl)amino]-5,6,7,8-tetrahydro-4H-benzo[f]benzotriazol-4a-yl]-(4-fluoro-2-pyridinyl)methanone?

The canonical SMILES for [(4aR,6S)-6-[cyclopropyl-[methylidene-(1-methyl-1,2,4-triazol-3-yl)-oxo-λ6-sulfanyl]amino]-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-benzo[f]benzimidazol-4a-yl]-(4-methyl-2-pyridinyl)methanone;[(4aS,6S)-6-[cyclopropyl-[methylidene-(1-methyl-1,2,4-triazol-3-yl)-oxo-λ6-sulfanyl]amino]-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-benzo[f]indol-4a-yl]-(4-methyl-2-pyridinyl)methanone;[(4aR,6S)-1-(6-fluoro-3-pyridinyl)-6-[[methylidene-(1-methyl-1,2,4-triazol-3-yl)-oxo-λ6-sulfanyl]-(2,2,2-trifluoroethyl)amino]-5,6,7,8-tetrahydro-4H-benzo[f]benzimidazol-4a-yl]-(4-fluoro-2-pyridinyl)methanone;[(4aR,6S)-1-(6-fluoro-3-pyridinyl)-6-[[methylidene-(1-methyl-1,2,4-triazol-3-yl)-oxo-λ6-sulfanyl]-(2,2,2-trifluoroethyl)amino]-5,6,7,8-tetrahydro-4H-benzo[f]benzotriazol-4a-yl]-(4-fluoro-2-pyridinyl)methanone is C=S(=O)(c1ncn(C)n1)N(C1CC1)[C@H]1CCC2=Cc3c(ccn3-c3ccc(F)cc3)C[C@]2(C(=O)c2cc(C)ccn2)C1.C=S(=O)(c1ncn(C)n1)N(C1CC1)[C@H]1CCC2=Cc3c(ncn3-c3ccc(F)cc3)C[C@]2(C(=O)c2cc(C)ccn2)C1.C=S(=O)(c1ncn(C)n1)N(CC(F)(F)F)[C@H]1CCC2=Cc3c(ncn3-c3ccc(F)nc3)C[C@]2(C(=O)c2cc(F)ccn2)C1.C=S(=O)(c1ncn(C)n1)N(CC(F)(F)F)[C@H]1CCC2=Cc3c(nnn3-c3ccc(F)nc3)C[C@]2(C(=O)c2cc(F)ccn2)C1.

What is the InChIKey of [(4aR,6S)-6-[cyclopropyl-[methylidene-(1-methyl-1,2,4-triazol-3-yl)-oxo-λ6-sulfanyl]amino]-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-benzo[f]benzimidazol-4a-yl]-(4-methyl-2-pyridinyl)methanone;[(4aS,6S)-6-[cyclopropyl-[methylidene-(1-methyl-1,2,4-triazol-3-yl)-oxo-λ6-sulfanyl]amino]-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-benzo[f]indol-4a-yl]-(4-methyl-2-pyridinyl)methanone;[(4aR,6S)-1-(6-fluoro-3-pyridinyl)-6-[[methylidene-(1-methyl-1,2,4-triazol-3-yl)-oxo-λ6-sulfanyl]-(2,2,2-trifluoroethyl)amino]-5,6,7,8-tetrahydro-4H-benzo[f]benzimidazol-4a-yl]-(4-fluoro-2-pyridinyl)methanone;[(4aR,6S)-1-(6-fluoro-3-pyridinyl)-6-[[methylidene-(1-methyl-1,2,4-triazol-3-yl)-oxo-λ6-sulfanyl]-(2,2,2-trifluoroethyl)amino]-5,6,7,8-tetrahydro-4H-benzo[f]benzotriazol-4a-yl]-(4-fluoro-2-pyridinyl)methanone?

The InChIKey is PFLBRXLXXOUBGR-XZVQXRPBSA-N. The full InChI is InChI=1S/C32H33FN6O2S.C31H32FN7O2S.C28H25F5N8O2S.C27H24F5N9O2S/c1-21-12-14-34-28(16-21)30(40)32-18-22-13-15-38(25-8-5-24(33)6-9-25)29(22)17-23(32)4-7-27(19-32)39(26-10-11-26)42(3,41)31-35-20-37(2)36-31;1-20-12-13-33-26(14-20)29(40)31-16-25(39(24-10-11-24)42(3,41)30-35-18-37(2)36-30)7-4-21(31)15-28-27(17-31)34-19-38(28)23-8-5-22(32)6-9-23;1-39-15-37-26(38-39)44(2,43)41(14-28(31,32)33)19-4-3-17-9-23-22(36-16-40(23)20-5-6-24(30)35-13-20)12-27(17,11-19)25(42)21-10-18(29)7-8-34-21;1-39-15-35-25(37-39)44(2,43)40(14-27(30,31)32)18-4-3-16-9-22-21(36-38-41(22)19-5-6-23(29)34-13-19)12-26(16,11-18)24(42)20-10-17(28)7-8-33-20/h5-6,8-9,12-17,20,26-27H,3-4,7,10-11,18-19H2,1-2H3;5-6,8-9,12-15,18-19,24-25H,3-4,7,10-11,16-17H2,1-2H3;5-10,13,15-16,19H,2-4,11-12,14H2,1H3;5-10,13,15,18H,2-4,11-12,14H2,1H3/t27-,32-,42?;25-,31+,42?;19-,27+,44?;18-,26+,44?/m0000/s1.

What are the key properties of [(4aR,6S)-6-[cyclopropyl-[methylidene-(1-methyl-1,2,4-triazol-3-yl)-oxo-λ6-sulfanyl]amino]-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-benzo[f]benzimidazol-4a-yl]-(4-methyl-2-pyridinyl)methanone;[(4aS,6S)-6-[cyclopropyl-[methylidene-(1-methyl-1,2,4-triazol-3-yl)-oxo-λ6-sulfanyl]amino]-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-benzo[f]indol-4a-yl]-(4-methyl-2-pyridinyl)methanone;[(4aR,6S)-1-(6-fluoro-3-pyridinyl)-6-[[methylidene-(1-methyl-1,2,4-triazol-3-yl)-oxo-λ6-sulfanyl]-(2,2,2-trifluoroethyl)amino]-5,6,7,8-tetrahydro-4H-benzo[f]benzimidazol-4a-yl]-(4-fluoro-2-pyridinyl)methanone;[(4aR,6S)-1-(6-fluoro-3-pyridinyl)-6-[[methylidene-(1-methyl-1,2,4-triazol-3-yl)-oxo-λ6-sulfanyl]-(2,2,2-trifluoroethyl)amino]-5,6,7,8-tetrahydro-4H-benzo[f]benzotriazol-4a-yl]-(4-fluoro-2-pyridinyl)methanone?

[(4aR,6S)-6-[cyclopropyl-[methylidene-(1-methyl-1,2,4-triazol-3-yl)-oxo-λ6-sulfanyl]amino]-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-benzo[f]benzimidazol-4a-yl]-(4-methyl-2-pyridinyl)methanone;[(4aS,6S)-6-[cyclopropyl-[methylidene-(1-methyl-1,2,4-triazol-3-yl)-oxo-λ6-sulfanyl]amino]-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-benzo[f]indol-4a-yl]-(4-methyl-2-pyridinyl)methanone;[(4aR,6S)-1-(6-fluoro-3-pyridinyl)-6-[[methylidene-(1-methyl-1,2,4-triazol-3-yl)-oxo-λ6-sulfanyl]-(2,2,2-trifluoroethyl)amino]-5,6,7,8-tetrahydro-4H-benzo[f]benzimidazol-4a-yl]-(4-fluoro-2-pyridinyl)methanone;[(4aR,6S)-1-(6-fluoro-3-pyridinyl)-6-[[methylidene-(1-methyl-1,2,4-triazol-3-yl)-oxo-λ6-sulfanyl]-(2,2,2-trifluoroethyl)amino]-5,6,7,8-tetrahydro-4H-benzo[f]benzotriazol-4a-yl]-(4-fluoro-2-pyridinyl)methanone has a molecular weight of 2436.66 g/mol, XLogP of 16.69, 28 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for [(4aR,6S)-6-[cyclopropyl-[methylidene-(1-methyl-1,2,4-triazol-3-yl)-oxo-λ6-sulfanyl]amino]-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-benzo[f]benzimidazol-4a-yl]-(4-methyl-2-pyridinyl)methanone;[(4aS,6S)-6-[cyclopropyl-[methylidene-(1-methyl-1,2,4-triazol-3-yl)-oxo-λ6-sulfanyl]amino]-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-benzo[f]indol-4a-yl]-(4-methyl-2-pyridinyl)methanone;[(4aR,6S)-1-(6-fluoro-3-pyridinyl)-6-[[methylidene-(1-methyl-1,2,4-triazol-3-yl)-oxo-λ6-sulfanyl]-(2,2,2-trifluoroethyl)amino]-5,6,7,8-tetrahydro-4H-benzo[f]benzimidazol-4a-yl]-(4-fluoro-2-pyridinyl)methanone;[(4aR,6S)-1-(6-fluoro-3-pyridinyl)-6-[[methylidene-(1-methyl-1,2,4-triazol-3-yl)-oxo-λ6-sulfanyl]-(2,2,2-trifluoroethyl)amino]-5,6,7,8-tetrahydro-4H-benzo[f]benzotriazol-4a-yl]-(4-fluoro-2-pyridinyl)methanone is sourced from PubChem (CID 163864470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).