1-(4-acetylphenyl)-3-[5-(3-chloro-6-ethoxy-2-fluorophenyl)-1-oxidopyridin-1-ium-2-yl]-4-cyclopropylbutan-2-one;1-(4-acetylphenyl)-3-[5-(3-chloro-2-fluoro-6-methoxyphenyl)-1-oxidopyridin-1-ium-2-yl]-4-cyclopropylbutan-2-one;3-[5-[3-chloro-6-(difluoromethoxy)-2-fluorophenyl]-1-oxidopyridin-1-ium-2-yl]-4-cyclopropyl-1-[4-(1-hydroxyethenyl)phenyl]butan-2-one;3-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1-oxidopyridin-1-ium-2-yl]-4-cyclopropyl-1-[4-(1-hydroxyethenyl)phenyl]butan-2-one;3-[5-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-1-oxidopyridin-1-ium-2-yl]-4-cyclobutyl-1-[4-(1-ethoxyethenyl)phenyl]butan-2-one;3-[5-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-1-oxidopyridin-1-ium-2-yl]-4-cyclobutyl-1-[4-(1-hydroxyethenyl)phenyl]butan-2-one

C167H153Cl6F13N6O22 — CID 158198806

About 1-(4-acetylphenyl)-3-[5-(3-chloro-6-ethoxy-2-fluorophenyl)-1-oxidopyridin-1-ium-2-yl]-4-cyclopropylbutan-2-one;1-(4-acetylphenyl)-3-[5-(3-chloro-2-fluoro-6-methoxyphenyl)-1-oxidopyridin-1-ium-2-yl]-4-cyclopropylbutan-2-one;3-[5-[3-chloro-6-(difluoromethoxy)-2-fluorophenyl]-1-oxidopyridin-1-ium-2-yl]-4-cyclopropyl-1-[4-(1-hydroxyethenyl)phenyl]butan-2-one;3-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1-oxidopyridin-1-ium-2-yl]-4-cyclopropyl-1-[4-(1-hydroxyethenyl)phenyl]butan-2-one;3-[5-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-1-oxidopyridin-1-ium-2-yl]-4-cyclobutyl-1-[4-(1-ethoxyethenyl)phenyl]butan-2-one;3-[5-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-1-oxidopyridin-1-ium-2-yl]-4-cyclobutyl-1-[4-(1-hydroxyethenyl)phenyl]butan-2-one

1-(4-acetylphenyl)-3-[5-(3-chloro-6-ethoxy-2-fluorophenyl)-1-oxidopyridin-1-ium-2-yl]-4-cyclopropylbutan-2-one;1-(4-acetylphenyl)-3-[5-(3-chloro-2-fluoro-6-methoxyphenyl)-1-oxidopyridin-1-ium-2-yl]-4-cyclopropylbutan-2-one;3-[5-[3-chloro-6-(difluoromethoxy)-2-fluorophenyl]-1-oxidopyridin-1-ium-2-yl]-4-cyclopropyl-1-[4-(1-hydroxyethenyl)phenyl]butan-2-one;3-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1-oxidopyridin-1-ium-2-yl]-4-cyclopropyl-1-[4-(1-hydroxyethenyl)phenyl]butan-2-one;3-[5-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-1-oxidopyridin-1-ium-2-yl]-4-cyclobutyl-1-[4-(1-ethoxyethenyl)phenyl]butan-2-one;3-[5-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-1-oxidopyridin-1-ium-2-yl]-4-cyclobutyl-1-[4-(1-hydroxyethenyl)phenyl]butan-2-one (PubChem CID 158198806) has the molecular formula C167H153Cl6F13N6O22 and a molecular weight of 3055.77 g/mol. Its IUPAC name is 1-(4-acetylphenyl)-3-[5-(3-chloro-6-ethoxy-2-fluorophenyl)-1-oxidopyridin-1-ium-2-yl]-4-cyclopropylbutan-2-one;1-(4-acetylphenyl)-3-[5-(3-chloro-2-fluoro-6-methoxyphenyl)-1-oxidopyridin-1-ium-2-yl]-4-cyclopropylbutan-2-one;3-[5-[3-chloro-6-(difluoromethoxy)-2-fluorophenyl]-1-oxidopyridin-1-ium-2-yl]-4-cyclopropyl-1-[4-(1-hydroxyethenyl)phenyl]butan-2-one;3-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1-oxidopyridin-1-ium-2-yl]-4-cyclopropyl-1-[4-(1-hydroxyethenyl)phenyl]butan-2-one;3-[5-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-1-oxidopyridin-1-ium-2-yl]-4-cyclobutyl-1-[4-(1-ethoxyethenyl)phenyl]butan-2-one;3-[5-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-1-oxidopyridin-1-ium-2-yl]-4-cyclobutyl-1-[4-(1-hydroxyethenyl)phenyl]butan-2-one.

Molecular Properties

• Compound Name: 1-(4-acetylphenyl)-3-[5-(3-chloro-6-ethoxy-2-fluorophenyl)-1-oxidopyridin-1-ium-2-yl]-4-cyclopropylbutan-2-one;1-(4-acetylphenyl)-3-[5-(3-chloro-2-fluoro-6-methoxyphenyl)-1-oxidopyridin-1-ium-2-yl]-4-cyclopropylbutan-2-one;3-[5-[3-chloro-6-(difluoromethoxy)-2-fluorophenyl]-1-oxidopyridin-1-ium-2-yl]-4-cyclopropyl-1-[4-(1-hydroxyethenyl)phenyl]butan-2-one;3-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1-oxidopyridin-1-ium-2-yl]-4-cyclopropyl-1-[4-(1-hydroxyethenyl)phenyl]butan-2-one;3-[5-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-1-oxidopyridin-1-ium-2-yl]-4-cyclobutyl-1-[4-(1-ethoxyethenyl)phenyl]butan-2-one;3-[5-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-1-oxidopyridin-1-ium-2-yl]-4-cyclobutyl-1-[4-(1-hydroxyethenyl)phenyl]butan-2-one
• PubChem CID: 158198806
• Molecular Formula: C167H153Cl6F13N6O22
• Molecular Weight: 3055.77 g/mol
• Exact Mass: 3050.90
• IUPAC Name: 1-(4-acetylphenyl)-3-[5-(3-chloro-6-ethoxy-2-fluorophenyl)-1-oxidopyridin-1-ium-2-yl]-4-cyclopropylbutan-2-one;1-(4-acetylphenyl)-3-[5-(3-chloro-2-fluoro-6-methoxyphenyl)-1-oxidopyridin-1-ium-2-yl]-4-cyclopropylbutan-2-one;3-[5-[3-chloro-6-(difluoromethoxy)-2-fluorophenyl]-1-oxidopyridin-1-ium-2-yl]-4-cyclopropyl-1-[4-(1-hydroxyethenyl)phenyl]butan-2-one;3-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1-oxidopyridin-1-ium-2-yl]-4-cyclopropyl-1-[4-(1-hydroxyethenyl)phenyl]butan-2-one;3-[5-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-1-oxidopyridin-1-ium-2-yl]-4-cyclobutyl-1-[4-(1-ethoxyethenyl)phenyl]butan-2-one;3-[5-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-1-oxidopyridin-1-ium-2-yl]-4-cyclobutyl-1-[4-(1-hydroxyethenyl)phenyl]butan-2-one
• SMILES: C=C(O)c1ccc(CC(=O)C(CC2CC2)c2ccc(-c3c(OC(F)F)ccc(Cl)c3F)c[n+]2[O-])cc1.C=C(O)c1ccc(CC(=O)C(CC2CC2)c2ccc(-c3cc(Cl)ccc3OC(F)F)c[n+]2[O-])cc1.C=C(O)c1ccc(CC(=O)C(CC2CCC2)c2ccc(-c3c(C(F)F)ccc(Cl)c3F)c[n+]2[O-])cc1.C=C(OCC)c1ccc(CC(=O)C(CC2CCC2)c2ccc(-c3c(C(F)F)ccc(Cl)c3F)c[n+]2[O-])cc1.CCOc1ccc(Cl)c(F)c1-c1ccc(C(CC2CC2)C(=O)Cc2ccc(C(C)=O)cc2)[n+]([O-])c1.COc1ccc(Cl)c(F)c1-c1ccc(C(CC2CC2)C(=O)Cc2ccc(C(C)=O)cc2)[n+]([O-])c1
• InChI: InChI=1S/C30H29ClF3NO3.C28H25ClF3NO3.C28H27ClFNO4.C27H23ClF3NO4.C27H24ClF2NO4.C27H25ClFNO4/c1-3-38-18(2)21-9-7-20(8-10-21)16-27(36)24(15-19-5-4-6-19)26-14-11-22(17-35(26)37)28-23(30(33)34)12-13-25(31)29(28)32;1-16(34)19-7-5-18(6-8-19)14-25(35)22(13-17-3-2-4-17)24-12-9-20(15-33(24)36)26-21(28(31)32)10-11-23(29)27(26)30;1-3-35-26-13-11-23(29)28(30)27(26)21-10-12-24(31(34)16-21)22(14-18-4-5-18)25(33)15-19-6-8-20(9-7-19)17(2)32;1-15(33)18-6-4-17(5-7-18)13-23(34)20(12-16-2-3-16)22-10-8-19(14-32(22)35)25-24(36-27(30)31)11-9-21(28)26(25)29;1-16(32)19-6-4-18(5-7-19)13-25(33)23(12-17-2-3-17)24-10-8-20(15-31(24)34)22-14-21(28)9-11-26(22)35-27(29)30;1-16(31)19-7-5-18(6-8-19)14-24(32)21(13-17-3-4-17)23-11-9-20(15-30(23)33)26-25(34-2)12-10-22(28)27(26)29/h7-14,17,19,24,30H,2-6,15-16H2,1H3;5-12,15,17,22,28,34H,1-4,13-14H2;6-13,16,18,22H,3-5,14-15H2,1-2H3;4-11,14,16,20,27,33H,1-3,12-13H2;4-11,14-15,17,23,27,32H,1-3,12-13H2;5-12,15,17,21H,3-4,13-14H2,1-2H3
• InChIKey: GARGEKRODLOVLA-UHFFFAOYSA-N
• XLogP: 39.97
• TPSA: 405.04 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 22
• Rotatable Bonds: 59
• Heavy Atoms: 214
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3055.77
LogP ≤ 5	39.97
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylphenyl)-3-[5-(3-chloro-6-ethoxy-2-fluorophenyl)-1-oxidopyridin-1-ium-2-yl]-4-cyclopropylbutan-2-one;1-(4-acetylphenyl)-3-[5-(3-chloro-2-fluoro-6-methoxyphenyl)-1-oxidopyridin-1-ium-2-yl]-4-cyclopropylbutan-2-one;3-[5-[3-chloro-6-(difluoromethoxy)-2-fluorophenyl]-1-oxidopyridin-1-ium-2-yl]-4-cyclopropyl-1-[4-(1-hydroxyethenyl)phenyl]butan-2-one;3-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1-oxidopyridin-1-ium-2-yl]-4-cyclopropyl-1-[4-(1-hydroxyethenyl)phenyl]butan-2-one;3-[5-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-1-oxidopyridin-1-ium-2-yl]-4-cyclobutyl-1-[4-(1-ethoxyethenyl)phenyl]butan-2-one;3-[5-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-1-oxidopyridin-1-ium-2-yl]-4-cyclobutyl-1-[4-(1-hydroxyethenyl)phenyl]butan-2-one?

The IUPAC name of 1-(4-acetylphenyl)-3-[5-(3-chloro-6-ethoxy-2-fluorophenyl)-1-oxidopyridin-1-ium-2-yl]-4-cyclopropylbutan-2-one;1-(4-acetylphenyl)-3-[5-(3-chloro-2-fluoro-6-methoxyphenyl)-1-oxidopyridin-1-ium-2-yl]-4-cyclopropylbutan-2-one;3-[5-[3-chloro-6-(difluoromethoxy)-2-fluorophenyl]-1-oxidopyridin-1-ium-2-yl]-4-cyclopropyl-1-[4-(1-hydroxyethenyl)phenyl]butan-2-one;3-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1-oxidopyridin-1-ium-2-yl]-4-cyclopropyl-1-[4-(1-hydroxyethenyl)phenyl]butan-2-one;3-[5-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-1-oxidopyridin-1-ium-2-yl]-4-cyclobutyl-1-[4-(1-ethoxyethenyl)phenyl]butan-2-one;3-[5-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-1-oxidopyridin-1-ium-2-yl]-4-cyclobutyl-1-[4-(1-hydroxyethenyl)phenyl]butan-2-one (CID 158198806) is 1-(4-acetylphenyl)-3-[5-(3-chloro-6-ethoxy-2-fluorophenyl)-1-oxidopyridin-1-ium-2-yl]-4-cyclopropylbutan-2-one;1-(4-acetylphenyl)-3-[5-(3-chloro-2-fluoro-6-methoxyphenyl)-1-oxidopyridin-1-ium-2-yl]-4-cyclopropylbutan-2-one;3-[5-[3-chloro-6-(difluoromethoxy)-2-fluorophenyl]-1-oxidopyridin-1-ium-2-yl]-4-cyclopropyl-1-[4-(1-hydroxyethenyl)phenyl]butan-2-one;3-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1-oxidopyridin-1-ium-2-yl]-4-cyclopropyl-1-[4-(1-hydroxyethenyl)phenyl]butan-2-one;3-[5-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-1-oxidopyridin-1-ium-2-yl]-4-cyclobutyl-1-[4-(1-ethoxyethenyl)phenyl]butan-2-one;3-[5-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-1-oxidopyridin-1-ium-2-yl]-4-cyclobutyl-1-[4-(1-hydroxyethenyl)phenyl]butan-2-one.

What is the SMILES notation for 1-(4-acetylphenyl)-3-[5-(3-chloro-6-ethoxy-2-fluorophenyl)-1-oxidopyridin-1-ium-2-yl]-4-cyclopropylbutan-2-one;1-(4-acetylphenyl)-3-[5-(3-chloro-2-fluoro-6-methoxyphenyl)-1-oxidopyridin-1-ium-2-yl]-4-cyclopropylbutan-2-one;3-[5-[3-chloro-6-(difluoromethoxy)-2-fluorophenyl]-1-oxidopyridin-1-ium-2-yl]-4-cyclopropyl-1-[4-(1-hydroxyethenyl)phenyl]butan-2-one;3-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1-oxidopyridin-1-ium-2-yl]-4-cyclopropyl-1-[4-(1-hydroxyethenyl)phenyl]butan-2-one;3-[5-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-1-oxidopyridin-1-ium-2-yl]-4-cyclobutyl-1-[4-(1-ethoxyethenyl)phenyl]butan-2-one;3-[5-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-1-oxidopyridin-1-ium-2-yl]-4-cyclobutyl-1-[4-(1-hydroxyethenyl)phenyl]butan-2-one?

The canonical SMILES for 1-(4-acetylphenyl)-3-[5-(3-chloro-6-ethoxy-2-fluorophenyl)-1-oxidopyridin-1-ium-2-yl]-4-cyclopropylbutan-2-one;1-(4-acetylphenyl)-3-[5-(3-chloro-2-fluoro-6-methoxyphenyl)-1-oxidopyridin-1-ium-2-yl]-4-cyclopropylbutan-2-one;3-[5-[3-chloro-6-(difluoromethoxy)-2-fluorophenyl]-1-oxidopyridin-1-ium-2-yl]-4-cyclopropyl-1-[4-(1-hydroxyethenyl)phenyl]butan-2-one;3-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1-oxidopyridin-1-ium-2-yl]-4-cyclopropyl-1-[4-(1-hydroxyethenyl)phenyl]butan-2-one;3-[5-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-1-oxidopyridin-1-ium-2-yl]-4-cyclobutyl-1-[4-(1-ethoxyethenyl)phenyl]butan-2-one;3-[5-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-1-oxidopyridin-1-ium-2-yl]-4-cyclobutyl-1-[4-(1-hydroxyethenyl)phenyl]butan-2-one is C=C(O)c1ccc(CC(=O)C(CC2CC2)c2ccc(-c3c(OC(F)F)ccc(Cl)c3F)c[n+]2[O-])cc1.C=C(O)c1ccc(CC(=O)C(CC2CC2)c2ccc(-c3cc(Cl)ccc3OC(F)F)c[n+]2[O-])cc1.C=C(O)c1ccc(CC(=O)C(CC2CCC2)c2ccc(-c3c(C(F)F)ccc(Cl)c3F)c[n+]2[O-])cc1.C=C(OCC)c1ccc(CC(=O)C(CC2CCC2)c2ccc(-c3c(C(F)F)ccc(Cl)c3F)c[n+]2[O-])cc1.CCOc1ccc(Cl)c(F)c1-c1ccc(C(CC2CC2)C(=O)Cc2ccc(C(C)=O)cc2)[n+]([O-])c1.COc1ccc(Cl)c(F)c1-c1ccc(C(CC2CC2)C(=O)Cc2ccc(C(C)=O)cc2)[n+]([O-])c1.

What is the InChIKey of 1-(4-acetylphenyl)-3-[5-(3-chloro-6-ethoxy-2-fluorophenyl)-1-oxidopyridin-1-ium-2-yl]-4-cyclopropylbutan-2-one;1-(4-acetylphenyl)-3-[5-(3-chloro-2-fluoro-6-methoxyphenyl)-1-oxidopyridin-1-ium-2-yl]-4-cyclopropylbutan-2-one;3-[5-[3-chloro-6-(difluoromethoxy)-2-fluorophenyl]-1-oxidopyridin-1-ium-2-yl]-4-cyclopropyl-1-[4-(1-hydroxyethenyl)phenyl]butan-2-one;3-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1-oxidopyridin-1-ium-2-yl]-4-cyclopropyl-1-[4-(1-hydroxyethenyl)phenyl]butan-2-one;3-[5-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-1-oxidopyridin-1-ium-2-yl]-4-cyclobutyl-1-[4-(1-ethoxyethenyl)phenyl]butan-2-one;3-[5-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-1-oxidopyridin-1-ium-2-yl]-4-cyclobutyl-1-[4-(1-hydroxyethenyl)phenyl]butan-2-one?

The InChIKey is GARGEKRODLOVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29ClF3NO3.C28H25ClF3NO3.C28H27ClFNO4.C27H23ClF3NO4.C27H24ClF2NO4.C27H25ClFNO4/c1-3-38-18(2)21-9-7-20(8-10-21)16-27(36)24(15-19-5-4-6-19)26-14-11-22(17-35(26)37)28-23(30(33)34)12-13-25(31)29(28)32;1-16(34)19-7-5-18(6-8-19)14-25(35)22(13-17-3-2-4-17)24-12-9-20(15-33(24)36)26-21(28(31)32)10-11-23(29)27(26)30;1-3-35-26-13-11-23(29)28(30)27(26)21-10-12-24(31(34)16-21)22(14-18-4-5-18)25(33)15-19-6-8-20(9-7-19)17(2)32;1-15(33)18-6-4-17(5-7-18)13-23(34)20(12-16-2-3-16)22-10-8-19(14-32(22)35)25-24(36-27(30)31)11-9-21(28)26(25)29;1-16(32)19-6-4-18(5-7-19)13-25(33)23(12-17-2-3-17)24-10-8-20(15-31(24)34)22-14-21(28)9-11-26(22)35-27(29)30;1-16(31)19-7-5-18(6-8-19)14-24(32)21(13-17-3-4-17)23-11-9-20(15-30(23)33)26-25(34-2)12-10-22(28)27(26)29/h7-14,17,19,24,30H,2-6,15-16H2,1H3;5-12,15,17,22,28,34H,1-4,13-14H2;6-13,16,18,22H,3-5,14-15H2,1-2H3;4-11,14,16,20,27,33H,1-3,12-13H2;4-11,14-15,17,23,27,32H,1-3,12-13H2;5-12,15,17,21H,3-4,13-14H2,1-2H3.

What are the key properties of 1-(4-acetylphenyl)-3-[5-(3-chloro-6-ethoxy-2-fluorophenyl)-1-oxidopyridin-1-ium-2-yl]-4-cyclopropylbutan-2-one;1-(4-acetylphenyl)-3-[5-(3-chloro-2-fluoro-6-methoxyphenyl)-1-oxidopyridin-1-ium-2-yl]-4-cyclopropylbutan-2-one;3-[5-[3-chloro-6-(difluoromethoxy)-2-fluorophenyl]-1-oxidopyridin-1-ium-2-yl]-4-cyclopropyl-1-[4-(1-hydroxyethenyl)phenyl]butan-2-one;3-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1-oxidopyridin-1-ium-2-yl]-4-cyclopropyl-1-[4-(1-hydroxyethenyl)phenyl]butan-2-one;3-[5-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-1-oxidopyridin-1-ium-2-yl]-4-cyclobutyl-1-[4-(1-ethoxyethenyl)phenyl]butan-2-one;3-[5-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-1-oxidopyridin-1-ium-2-yl]-4-cyclobutyl-1-[4-(1-hydroxyethenyl)phenyl]butan-2-one?

1-(4-acetylphenyl)-3-[5-(3-chloro-6-ethoxy-2-fluorophenyl)-1-oxidopyridin-1-ium-2-yl]-4-cyclopropylbutan-2-one;1-(4-acetylphenyl)-3-[5-(3-chloro-2-fluoro-6-methoxyphenyl)-1-oxidopyridin-1-ium-2-yl]-4-cyclopropylbutan-2-one;3-[5-[3-chloro-6-(difluoromethoxy)-2-fluorophenyl]-1-oxidopyridin-1-ium-2-yl]-4-cyclopropyl-1-[4-(1-hydroxyethenyl)phenyl]butan-2-one;3-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1-oxidopyridin-1-ium-2-yl]-4-cyclopropyl-1-[4-(1-hydroxyethenyl)phenyl]butan-2-one;3-[5-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-1-oxidopyridin-1-ium-2-yl]-4-cyclobutyl-1-[4-(1-ethoxyethenyl)phenyl]butan-2-one;3-[5-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-1-oxidopyridin-1-ium-2-yl]-4-cyclobutyl-1-[4-(1-hydroxyethenyl)phenyl]butan-2-one has a molecular weight of 3055.77 g/mol, XLogP of 39.97, 59 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-acetylphenyl)-3-[5-(3-chloro-6-ethoxy-2-fluorophenyl)-1-oxidopyridin-1-ium-2-yl]-4-cyclopropylbutan-2-one;1-(4-acetylphenyl)-3-[5-(3-chloro-2-fluoro-6-methoxyphenyl)-1-oxidopyridin-1-ium-2-yl]-4-cyclopropylbutan-2-one;3-[5-[3-chloro-6-(difluoromethoxy)-2-fluorophenyl]-1-oxidopyridin-1-ium-2-yl]-4-cyclopropyl-1-[4-(1-hydroxyethenyl)phenyl]butan-2-one;3-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1-oxidopyridin-1-ium-2-yl]-4-cyclopropyl-1-[4-(1-hydroxyethenyl)phenyl]butan-2-one;3-[5-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-1-oxidopyridin-1-ium-2-yl]-4-cyclobutyl-1-[4-(1-ethoxyethenyl)phenyl]butan-2-one;3-[5-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-1-oxidopyridin-1-ium-2-yl]-4-cyclobutyl-1-[4-(1-hydroxyethenyl)phenyl]butan-2-one is sourced from PubChem (CID 158198806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).