1-[(2S)-3-(2-chlorophenyl)-2-(2,4-difluorophenyl)-2-propan-2-ylbut-3-enyl]-1,2,4-triazole;(3S)-3-(2,4-difluorophenyl)-2,2-difluoro-4-methyl-3-(1,2,4-triazol-1-ylmethyl)pentanamide;1-[(2S)-2-(2,4-difluorophenyl)-3-methyl-2-[(1S)-1-[4-(2-methylpyrazol-3-yl)phenyl]ethyl]butyl]-1,2,4-triazole;1-[(2S)-2-(2,4-difluorophenyl)-3-methyl-2-(1,2,4-triazol-1-ylmethyl)butyl]-3-[(E)-2-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]ethenyl]-1,2,4-triazole;1-[2-(2,4-difluorophenyl)-3-methyl-2-(1,2,4-triazol-1-ylmethyl)butyl]-1,2,4-triazole;2-[(2R,3S)-3-(2,4-difluorophenyl)-4-methyl-3-(1,2,4-triazol-1-ylmethyl)pentan-2-yl]-4-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-1,2,4-triazol-3-one;4-[2-[(2R,3S)-3-(2,4-difluorophenyl)-4-methyl-3-(1,2,4-triazol-1-ylmethyl)pentan-2-yl]-1,3-thiazol-4-yl]benzonitrile;1-[(2S)-3-methyl-3-methylsulfonyl-2-propan-2-yl-2-[4-(trifluoromethyl)phenyl]butyl]-1,2,4-triazole

C173H180ClF27N38O6S2 — CID 162005106

About 1-[(2S)-3-(2-chlorophenyl)-2-(2,4-difluorophenyl)-2-propan-2-ylbut-3-enyl]-1,2,4-triazole;(3S)-3-(2,4-difluorophenyl)-2,2-difluoro-4-methyl-3-(1,2,4-triazol-1-ylmethyl)pentanamide;1-[(2S)-2-(2,4-difluorophenyl)-3-methyl-2-[(1S)-1-[4-(2-methylpyrazol-3-yl)phenyl]ethyl]butyl]-1,2,4-triazole;1-[(2S)-2-(2,4-difluorophenyl)-3-methyl-2-(1,2,4-triazol-1-ylmethyl)butyl]-3-[(E)-2-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]ethenyl]-1,2,4-triazole;1-[2-(2,4-difluorophenyl)-3-methyl-2-(1,2,4-triazol-1-ylmethyl)butyl]-1,2,4-triazole;2-[(2R,3S)-3-(2,4-difluorophenyl)-4-methyl-3-(1,2,4-triazol-1-ylmethyl)pentan-2-yl]-4-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-1,2,4-triazol-3-one;4-[2-[(2R,3S)-3-(2,4-difluorophenyl)-4-methyl-3-(1,2,4-triazol-1-ylmethyl)pentan-2-yl]-1,3-thiazol-4-yl]benzonitrile;1-[(2S)-3-methyl-3-methylsulfonyl-2-propan-2-yl-2-[4-(trifluoromethyl)phenyl]butyl]-1,2,4-triazole

1-[(2S)-3-(2-chlorophenyl)-2-(2,4-difluorophenyl)-2-propan-2-ylbut-3-enyl]-1,2,4-triazole;(3S)-3-(2,4-difluorophenyl)-2,2-difluoro-4-methyl-3-(1,2,4-triazol-1-ylmethyl)pentanamide;1-[(2S)-2-(2,4-difluorophenyl)-3-methyl-2-[(1S)-1-[4-(2-methylpyrazol-3-yl)phenyl]ethyl]butyl]-1,2,4-triazole;1-[(2S)-2-(2,4-difluorophenyl)-3-methyl-2-(1,2,4-triazol-1-ylmethyl)butyl]-3-[(E)-2-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]ethenyl]-1,2,4-triazole;1-[2-(2,4-difluorophenyl)-3-methyl-2-(1,2,4-triazol-1-ylmethyl)butyl]-1,2,4-triazole;2-[(2R,3S)-3-(2,4-difluorophenyl)-4-methyl-3-(1,2,4-triazol-1-ylmethyl)pentan-2-yl]-4-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-1,2,4-triazol-3-one;4-[2-[(2R,3S)-3-(2,4-difluorophenyl)-4-methyl-3-(1,2,4-triazol-1-ylmethyl)pentan-2-yl]-1,3-thiazol-4-yl]benzonitrile;1-[(2S)-3-methyl-3-methylsulfonyl-2-propan-2-yl-2-[4-(trifluoromethyl)phenyl]butyl]-1,2,4-triazole (PubChem CID 162005106) has the molecular formula C173H180ClF27N38O6S2 and a molecular weight of 3500.14 g/mol. Its IUPAC name is 1-[(2S)-3-(2-chlorophenyl)-2-(2,4-difluorophenyl)-2-propan-2-ylbut-3-enyl]-1,2,4-triazole;(3S)-3-(2,4-difluorophenyl)-2,2-difluoro-4-methyl-3-(1,2,4-triazol-1-ylmethyl)pentanamide;1-[(2S)-2-(2,4-difluorophenyl)-3-methyl-2-[(1S)-1-[4-(2-methylpyrazol-3-yl)phenyl]ethyl]butyl]-1,2,4-triazole;1-[(2S)-2-(2,4-difluorophenyl)-3-methyl-2-(1,2,4-triazol-1-ylmethyl)butyl]-3-[(E)-2-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]ethenyl]-1,2,4-triazole;1-[2-(2,4-difluorophenyl)-3-methyl-2-(1,2,4-triazol-1-ylmethyl)butyl]-1,2,4-triazole;2-[(2R,3S)-3-(2,4-difluorophenyl)-4-methyl-3-(1,2,4-triazol-1-ylmethyl)pentan-2-yl]-4-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-1,2,4-triazol-3-one;4-[2-[(2R,3S)-3-(2,4-difluorophenyl)-4-methyl-3-(1,2,4-triazol-1-ylmethyl)pentan-2-yl]-1,3-thiazol-4-yl]benzonitrile;1-[(2S)-3-methyl-3-methylsulfonyl-2-propan-2-yl-2-[4-(trifluoromethyl)phenyl]butyl]-1,2,4-triazole.

Molecular Properties

• Compound Name: 1-[(2S)-3-(2-chlorophenyl)-2-(2,4-difluorophenyl)-2-propan-2-ylbut-3-enyl]-1,2,4-triazole;(3S)-3-(2,4-difluorophenyl)-2,2-difluoro-4-methyl-3-(1,2,4-triazol-1-ylmethyl)pentanamide;1-[(2S)-2-(2,4-difluorophenyl)-3-methyl-2-[(1S)-1-[4-(2-methylpyrazol-3-yl)phenyl]ethyl]butyl]-1,2,4-triazole;1-[(2S)-2-(2,4-difluorophenyl)-3-methyl-2-(1,2,4-triazol-1-ylmethyl)butyl]-3-[(E)-2-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]ethenyl]-1,2,4-triazole;1-[2-(2,4-difluorophenyl)-3-methyl-2-(1,2,4-triazol-1-ylmethyl)butyl]-1,2,4-triazole;2-[(2R,3S)-3-(2,4-difluorophenyl)-4-methyl-3-(1,2,4-triazol-1-ylmethyl)pentan-2-yl]-4-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-1,2,4-triazol-3-one;4-[2-[(2R,3S)-3-(2,4-difluorophenyl)-4-methyl-3-(1,2,4-triazol-1-ylmethyl)pentan-2-yl]-1,3-thiazol-4-yl]benzonitrile;1-[(2S)-3-methyl-3-methylsulfonyl-2-propan-2-yl-2-[4-(trifluoromethyl)phenyl]butyl]-1,2,4-triazole
• PubChem CID: 162005106
• Molecular Formula: C173H180ClF27N38O6S2
• Molecular Weight: 3500.14 g/mol
• Exact Mass: 3497.36
• IUPAC Name: 1-[(2S)-3-(2-chlorophenyl)-2-(2,4-difluorophenyl)-2-propan-2-ylbut-3-enyl]-1,2,4-triazole;(3S)-3-(2,4-difluorophenyl)-2,2-difluoro-4-methyl-3-(1,2,4-triazol-1-ylmethyl)pentanamide;1-[(2S)-2-(2,4-difluorophenyl)-3-methyl-2-[(1S)-1-[4-(2-methylpyrazol-3-yl)phenyl]ethyl]butyl]-1,2,4-triazole;1-[(2S)-2-(2,4-difluorophenyl)-3-methyl-2-(1,2,4-triazol-1-ylmethyl)butyl]-3-[(E)-2-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]ethenyl]-1,2,4-triazole;1-[2-(2,4-difluorophenyl)-3-methyl-2-(1,2,4-triazol-1-ylmethyl)butyl]-1,2,4-triazole;2-[(2R,3S)-3-(2,4-difluorophenyl)-4-methyl-3-(1,2,4-triazol-1-ylmethyl)pentan-2-yl]-4-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-1,2,4-triazol-3-one;4-[2-[(2R,3S)-3-(2,4-difluorophenyl)-4-methyl-3-(1,2,4-triazol-1-ylmethyl)pentan-2-yl]-1,3-thiazol-4-yl]benzonitrile;1-[(2S)-3-methyl-3-methylsulfonyl-2-propan-2-yl-2-[4-(trifluoromethyl)phenyl]butyl]-1,2,4-triazole
• SMILES: C=C(c1ccccc1Cl)[C@](Cn1cncn1)(c1ccc(F)cc1F)C(C)C.CC(C)C(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F.CC(C)[C@@](Cn1cncn1)(c1ccc(C(F)(F)F)cc1)C(C)(C)S(C)(=O)=O.CC(C)[C@@](Cn1cncn1)(c1ccc(F)cc1F)C(F)(F)C(N)=O.CC(C)[C@@](Cn1cncn1)(c1ccc(F)cc1F)[C@@H](C)c1ccc(-c2ccnn2C)cc1.CC(C)[C@@](Cn1cncn1)(c1ccc(F)cc1F)[C@@H](C)c1nc(-c2ccc(C#N)cc2)cs1.CC(C)[C@@](Cn1cncn1)(c1ccc(F)cc1F)[C@@H](C)n1ncn(-c2ccc(OCC(F)(F)C(F)F)cc2)c1=O.CC(C)[C@](Cn1cncn1)(Cn1cnc(/C=C/c2ccc(OCC(F)(F)C(F)F)cc2)n1)c1ccc(F)cc1F
• InChI: InChI=1S/C27H26F6N6O.C26H26F6N6O2.C25H23F2N5S.C25H27F2N5.C21H20ClF2N3.C18H24F3N3O2S.C16H18F2N6.C15H16F4N4O/c1-18(2)26(12-38-16-34-15-36-38,22-9-6-20(28)11-23(22)29)13-39-17-35-24(37-39)10-5-19-3-7-21(8-4-19)40-14-27(32,33)25(30)31;1-16(2)25(11-36-14-33-13-34-36,21-9-4-18(27)10-22(21)28)17(3)38-24(39)37(15-35-38)19-5-7-20(8-6-19)40-12-26(31,32)23(29)30;1-16(2)25(13-32-15-29-14-30-32,21-9-8-20(26)10-22(21)27)17(3)24-31-23(12-33-24)19-6-4-18(11-28)5-7-19;1-17(2)25(14-32-16-28-15-30-32,22-10-9-21(26)13-23(22)27)18(3)19-5-7-20(8-6-19)24-11-12-29-31(24)4;1-14(2)21(11-27-13-25-12-26-27,18-9-8-16(23)10-20(18)24)15(3)17-6-4-5-7-19(17)22;1-13(2)17(10-24-12-22-11-23-24,16(3,4)27(5,25)26)14-6-8-15(9-7-14)18(19,20)21;1-12(2)16(6-23-10-19-8-21-23,7-24-11-20-9-22-24)14-4-3-13(17)5-15(14)18;1-9(2)14(15(18,19)13(20)24,6-23-8-21-7-22-23)11-4-3-10(16)5-12(11)17/h3-11,15-18,25H,12-14H2,1-2H3;4-10,13-17,23H,11-12H2,1-3H3;4-10,12,14-17H,13H2,1-3H3;5-13,15-18H,14H2,1-4H3;4-10,12-14H,3,11H2,1-2H3;6-9,11-13H,10H2,1-5H3;3-5,8-12H,6-7H2,1-2H3;3-5,7-9H,6H2,1-2H3,(H2,20,24)/b10-5+;;;;;;;/t26-;17-,25-;17-,25+;18-,25+;21-;17-;;14-/m010010.0/s1
• InChIKey: YSSNRINANGSIEY-HYVLTUCZSA-N
• XLogP: 36.18
• TPSA: 497.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 44
• Rotatable Bonds: 61
• Heavy Atoms: 247
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3500.14
LogP ≤ 5	36.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-3-(2-chlorophenyl)-2-(2,4-difluorophenyl)-2-propan-2-ylbut-3-enyl]-1,2,4-triazole;(3S)-3-(2,4-difluorophenyl)-2,2-difluoro-4-methyl-3-(1,2,4-triazol-1-ylmethyl)pentanamide;1-[(2S)-2-(2,4-difluorophenyl)-3-methyl-2-[(1S)-1-[4-(2-methylpyrazol-3-yl)phenyl]ethyl]butyl]-1,2,4-triazole;1-[(2S)-2-(2,4-difluorophenyl)-3-methyl-2-(1,2,4-triazol-1-ylmethyl)butyl]-3-[(E)-2-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]ethenyl]-1,2,4-triazole;1-[2-(2,4-difluorophenyl)-3-methyl-2-(1,2,4-triazol-1-ylmethyl)butyl]-1,2,4-triazole;2-[(2R,3S)-3-(2,4-difluorophenyl)-4-methyl-3-(1,2,4-triazol-1-ylmethyl)pentan-2-yl]-4-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-1,2,4-triazol-3-one;4-[2-[(2R,3S)-3-(2,4-difluorophenyl)-4-methyl-3-(1,2,4-triazol-1-ylmethyl)pentan-2-yl]-1,3-thiazol-4-yl]benzonitrile;1-[(2S)-3-methyl-3-methylsulfonyl-2-propan-2-yl-2-[4-(trifluoromethyl)phenyl]butyl]-1,2,4-triazole?

The IUPAC name of 1-[(2S)-3-(2-chlorophenyl)-2-(2,4-difluorophenyl)-2-propan-2-ylbut-3-enyl]-1,2,4-triazole;(3S)-3-(2,4-difluorophenyl)-2,2-difluoro-4-methyl-3-(1,2,4-triazol-1-ylmethyl)pentanamide;1-[(2S)-2-(2,4-difluorophenyl)-3-methyl-2-[(1S)-1-[4-(2-methylpyrazol-3-yl)phenyl]ethyl]butyl]-1,2,4-triazole;1-[(2S)-2-(2,4-difluorophenyl)-3-methyl-2-(1,2,4-triazol-1-ylmethyl)butyl]-3-[(E)-2-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]ethenyl]-1,2,4-triazole;1-[2-(2,4-difluorophenyl)-3-methyl-2-(1,2,4-triazol-1-ylmethyl)butyl]-1,2,4-triazole;2-[(2R,3S)-3-(2,4-difluorophenyl)-4-methyl-3-(1,2,4-triazol-1-ylmethyl)pentan-2-yl]-4-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-1,2,4-triazol-3-one;4-[2-[(2R,3S)-3-(2,4-difluorophenyl)-4-methyl-3-(1,2,4-triazol-1-ylmethyl)pentan-2-yl]-1,3-thiazol-4-yl]benzonitrile;1-[(2S)-3-methyl-3-methylsulfonyl-2-propan-2-yl-2-[4-(trifluoromethyl)phenyl]butyl]-1,2,4-triazole (CID 162005106) is 1-[(2S)-3-(2-chlorophenyl)-2-(2,4-difluorophenyl)-2-propan-2-ylbut-3-enyl]-1,2,4-triazole;(3S)-3-(2,4-difluorophenyl)-2,2-difluoro-4-methyl-3-(1,2,4-triazol-1-ylmethyl)pentanamide;1-[(2S)-2-(2,4-difluorophenyl)-3-methyl-2-[(1S)-1-[4-(2-methylpyrazol-3-yl)phenyl]ethyl]butyl]-1,2,4-triazole;1-[(2S)-2-(2,4-difluorophenyl)-3-methyl-2-(1,2,4-triazol-1-ylmethyl)butyl]-3-[(E)-2-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]ethenyl]-1,2,4-triazole;1-[2-(2,4-difluorophenyl)-3-methyl-2-(1,2,4-triazol-1-ylmethyl)butyl]-1,2,4-triazole;2-[(2R,3S)-3-(2,4-difluorophenyl)-4-methyl-3-(1,2,4-triazol-1-ylmethyl)pentan-2-yl]-4-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-1,2,4-triazol-3-one;4-[2-[(2R,3S)-3-(2,4-difluorophenyl)-4-methyl-3-(1,2,4-triazol-1-ylmethyl)pentan-2-yl]-1,3-thiazol-4-yl]benzonitrile;1-[(2S)-3-methyl-3-methylsulfonyl-2-propan-2-yl-2-[4-(trifluoromethyl)phenyl]butyl]-1,2,4-triazole.

What is the SMILES notation for 1-[(2S)-3-(2-chlorophenyl)-2-(2,4-difluorophenyl)-2-propan-2-ylbut-3-enyl]-1,2,4-triazole;(3S)-3-(2,4-difluorophenyl)-2,2-difluoro-4-methyl-3-(1,2,4-triazol-1-ylmethyl)pentanamide;1-[(2S)-2-(2,4-difluorophenyl)-3-methyl-2-[(1S)-1-[4-(2-methylpyrazol-3-yl)phenyl]ethyl]butyl]-1,2,4-triazole;1-[(2S)-2-(2,4-difluorophenyl)-3-methyl-2-(1,2,4-triazol-1-ylmethyl)butyl]-3-[(E)-2-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]ethenyl]-1,2,4-triazole;1-[2-(2,4-difluorophenyl)-3-methyl-2-(1,2,4-triazol-1-ylmethyl)butyl]-1,2,4-triazole;2-[(2R,3S)-3-(2,4-difluorophenyl)-4-methyl-3-(1,2,4-triazol-1-ylmethyl)pentan-2-yl]-4-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-1,2,4-triazol-3-one;4-[2-[(2R,3S)-3-(2,4-difluorophenyl)-4-methyl-3-(1,2,4-triazol-1-ylmethyl)pentan-2-yl]-1,3-thiazol-4-yl]benzonitrile;1-[(2S)-3-methyl-3-methylsulfonyl-2-propan-2-yl-2-[4-(trifluoromethyl)phenyl]butyl]-1,2,4-triazole?

The canonical SMILES for 1-[(2S)-3-(2-chlorophenyl)-2-(2,4-difluorophenyl)-2-propan-2-ylbut-3-enyl]-1,2,4-triazole;(3S)-3-(2,4-difluorophenyl)-2,2-difluoro-4-methyl-3-(1,2,4-triazol-1-ylmethyl)pentanamide;1-[(2S)-2-(2,4-difluorophenyl)-3-methyl-2-[(1S)-1-[4-(2-methylpyrazol-3-yl)phenyl]ethyl]butyl]-1,2,4-triazole;1-[(2S)-2-(2,4-difluorophenyl)-3-methyl-2-(1,2,4-triazol-1-ylmethyl)butyl]-3-[(E)-2-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]ethenyl]-1,2,4-triazole;1-[2-(2,4-difluorophenyl)-3-methyl-2-(1,2,4-triazol-1-ylmethyl)butyl]-1,2,4-triazole;2-[(2R,3S)-3-(2,4-difluorophenyl)-4-methyl-3-(1,2,4-triazol-1-ylmethyl)pentan-2-yl]-4-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-1,2,4-triazol-3-one;4-[2-[(2R,3S)-3-(2,4-difluorophenyl)-4-methyl-3-(1,2,4-triazol-1-ylmethyl)pentan-2-yl]-1,3-thiazol-4-yl]benzonitrile;1-[(2S)-3-methyl-3-methylsulfonyl-2-propan-2-yl-2-[4-(trifluoromethyl)phenyl]butyl]-1,2,4-triazole is C=C(c1ccccc1Cl)[C@](Cn1cncn1)(c1ccc(F)cc1F)C(C)C.CC(C)C(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F.CC(C)[C@@](Cn1cncn1)(c1ccc(C(F)(F)F)cc1)C(C)(C)S(C)(=O)=O.CC(C)[C@@](Cn1cncn1)(c1ccc(F)cc1F)C(F)(F)C(N)=O.CC(C)[C@@](Cn1cncn1)(c1ccc(F)cc1F)[C@@H](C)c1ccc(-c2ccnn2C)cc1.CC(C)[C@@](Cn1cncn1)(c1ccc(F)cc1F)[C@@H](C)c1nc(-c2ccc(C#N)cc2)cs1.CC(C)[C@@](Cn1cncn1)(c1ccc(F)cc1F)[C@@H](C)n1ncn(-c2ccc(OCC(F)(F)C(F)F)cc2)c1=O.CC(C)[C@](Cn1cncn1)(Cn1cnc(/C=C/c2ccc(OCC(F)(F)C(F)F)cc2)n1)c1ccc(F)cc1F.

What is the InChIKey of 1-[(2S)-3-(2-chlorophenyl)-2-(2,4-difluorophenyl)-2-propan-2-ylbut-3-enyl]-1,2,4-triazole;(3S)-3-(2,4-difluorophenyl)-2,2-difluoro-4-methyl-3-(1,2,4-triazol-1-ylmethyl)pentanamide;1-[(2S)-2-(2,4-difluorophenyl)-3-methyl-2-[(1S)-1-[4-(2-methylpyrazol-3-yl)phenyl]ethyl]butyl]-1,2,4-triazole;1-[(2S)-2-(2,4-difluorophenyl)-3-methyl-2-(1,2,4-triazol-1-ylmethyl)butyl]-3-[(E)-2-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]ethenyl]-1,2,4-triazole;1-[2-(2,4-difluorophenyl)-3-methyl-2-(1,2,4-triazol-1-ylmethyl)butyl]-1,2,4-triazole;2-[(2R,3S)-3-(2,4-difluorophenyl)-4-methyl-3-(1,2,4-triazol-1-ylmethyl)pentan-2-yl]-4-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-1,2,4-triazol-3-one;4-[2-[(2R,3S)-3-(2,4-difluorophenyl)-4-methyl-3-(1,2,4-triazol-1-ylmethyl)pentan-2-yl]-1,3-thiazol-4-yl]benzonitrile;1-[(2S)-3-methyl-3-methylsulfonyl-2-propan-2-yl-2-[4-(trifluoromethyl)phenyl]butyl]-1,2,4-triazole?

The InChIKey is YSSNRINANGSIEY-HYVLTUCZSA-N. The full InChI is InChI=1S/C27H26F6N6O.C26H26F6N6O2.C25H23F2N5S.C25H27F2N5.C21H20ClF2N3.C18H24F3N3O2S.C16H18F2N6.C15H16F4N4O/c1-18(2)26(12-38-16-34-15-36-38,22-9-6-20(28)11-23(22)29)13-39-17-35-24(37-39)10-5-19-3-7-21(8-4-19)40-14-27(32,33)25(30)31;1-16(2)25(11-36-14-33-13-34-36,21-9-4-18(27)10-22(21)28)17(3)38-24(39)37(15-35-38)19-5-7-20(8-6-19)40-12-26(31,32)23(29)30;1-16(2)25(13-32-15-29-14-30-32,21-9-8-20(26)10-22(21)27)17(3)24-31-23(12-33-24)19-6-4-18(11-28)5-7-19;1-17(2)25(14-32-16-28-15-30-32,22-10-9-21(26)13-23(22)27)18(3)19-5-7-20(8-6-19)24-11-12-29-31(24)4;1-14(2)21(11-27-13-25-12-26-27,18-9-8-16(23)10-20(18)24)15(3)17-6-4-5-7-19(17)22;1-13(2)17(10-24-12-22-11-23-24,16(3,4)27(5,25)26)14-6-8-15(9-7-14)18(19,20)21;1-12(2)16(6-23-10-19-8-21-23,7-24-11-20-9-22-24)14-4-3-13(17)5-15(14)18;1-9(2)14(15(18,19)13(20)24,6-23-8-21-7-22-23)11-4-3-10(16)5-12(11)17/h3-11,15-18,25H,12-14H2,1-2H3;4-10,13-17,23H,11-12H2,1-3H3;4-10,12,14-17H,13H2,1-3H3;5-13,15-18H,14H2,1-4H3;4-10,12-14H,3,11H2,1-2H3;6-9,11-13H,10H2,1-5H3;3-5,8-12H,6-7H2,1-2H3;3-5,7-9H,6H2,1-2H3,(H2,20,24)/b10-5+;;;;;;;/t26-;17-,25-;17-,25+;18-,25+;21-;17-;;14-/m010010.0/s1.

What are the key properties of 1-[(2S)-3-(2-chlorophenyl)-2-(2,4-difluorophenyl)-2-propan-2-ylbut-3-enyl]-1,2,4-triazole;(3S)-3-(2,4-difluorophenyl)-2,2-difluoro-4-methyl-3-(1,2,4-triazol-1-ylmethyl)pentanamide;1-[(2S)-2-(2,4-difluorophenyl)-3-methyl-2-[(1S)-1-[4-(2-methylpyrazol-3-yl)phenyl]ethyl]butyl]-1,2,4-triazole;1-[(2S)-2-(2,4-difluorophenyl)-3-methyl-2-(1,2,4-triazol-1-ylmethyl)butyl]-3-[(E)-2-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]ethenyl]-1,2,4-triazole;1-[2-(2,4-difluorophenyl)-3-methyl-2-(1,2,4-triazol-1-ylmethyl)butyl]-1,2,4-triazole;2-[(2R,3S)-3-(2,4-difluorophenyl)-4-methyl-3-(1,2,4-triazol-1-ylmethyl)pentan-2-yl]-4-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-1,2,4-triazol-3-one;4-[2-[(2R,3S)-3-(2,4-difluorophenyl)-4-methyl-3-(1,2,4-triazol-1-ylmethyl)pentan-2-yl]-1,3-thiazol-4-yl]benzonitrile;1-[(2S)-3-methyl-3-methylsulfonyl-2-propan-2-yl-2-[4-(trifluoromethyl)phenyl]butyl]-1,2,4-triazole?

1-[(2S)-3-(2-chlorophenyl)-2-(2,4-difluorophenyl)-2-propan-2-ylbut-3-enyl]-1,2,4-triazole;(3S)-3-(2,4-difluorophenyl)-2,2-difluoro-4-methyl-3-(1,2,4-triazol-1-ylmethyl)pentanamide;1-[(2S)-2-(2,4-difluorophenyl)-3-methyl-2-[(1S)-1-[4-(2-methylpyrazol-3-yl)phenyl]ethyl]butyl]-1,2,4-triazole;1-[(2S)-2-(2,4-difluorophenyl)-3-methyl-2-(1,2,4-triazol-1-ylmethyl)butyl]-3-[(E)-2-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]ethenyl]-1,2,4-triazole;1-[2-(2,4-difluorophenyl)-3-methyl-2-(1,2,4-triazol-1-ylmethyl)butyl]-1,2,4-triazole;2-[(2R,3S)-3-(2,4-difluorophenyl)-4-methyl-3-(1,2,4-triazol-1-ylmethyl)pentan-2-yl]-4-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-1,2,4-triazol-3-one;4-[2-[(2R,3S)-3-(2,4-difluorophenyl)-4-methyl-3-(1,2,4-triazol-1-ylmethyl)pentan-2-yl]-1,3-thiazol-4-yl]benzonitrile;1-[(2S)-3-methyl-3-methylsulfonyl-2-propan-2-yl-2-[4-(trifluoromethyl)phenyl]butyl]-1,2,4-triazole has a molecular weight of 3500.14 g/mol, XLogP of 36.18, 61 rotatable bonds, 1 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2S)-3-(2-chlorophenyl)-2-(2,4-difluorophenyl)-2-propan-2-ylbut-3-enyl]-1,2,4-triazole;(3S)-3-(2,4-difluorophenyl)-2,2-difluoro-4-methyl-3-(1,2,4-triazol-1-ylmethyl)pentanamide;1-[(2S)-2-(2,4-difluorophenyl)-3-methyl-2-[(1S)-1-[4-(2-methylpyrazol-3-yl)phenyl]ethyl]butyl]-1,2,4-triazole;1-[(2S)-2-(2,4-difluorophenyl)-3-methyl-2-(1,2,4-triazol-1-ylmethyl)butyl]-3-[(E)-2-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]ethenyl]-1,2,4-triazole;1-[2-(2,4-difluorophenyl)-3-methyl-2-(1,2,4-triazol-1-ylmethyl)butyl]-1,2,4-triazole;2-[(2R,3S)-3-(2,4-difluorophenyl)-4-methyl-3-(1,2,4-triazol-1-ylmethyl)pentan-2-yl]-4-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-1,2,4-triazol-3-one;4-[2-[(2R,3S)-3-(2,4-difluorophenyl)-4-methyl-3-(1,2,4-triazol-1-ylmethyl)pentan-2-yl]-1,3-thiazol-4-yl]benzonitrile;1-[(2S)-3-methyl-3-methylsulfonyl-2-propan-2-yl-2-[4-(trifluoromethyl)phenyl]butyl]-1,2,4-triazole is sourced from PubChem (CID 162005106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).