1-[4-[3-(4-chloro-3-fluorophenoxy)-3-methylbut-1-ynyl]phenyl]-3-(4-ethylsulfonylphenyl)propan-2-one;1-[2-[2-(4-chloro-3-fluorophenoxy)propan-2-yl]-1-ethylbenzimidazol-5-yl]-3-(4-ethylsulfonylphenyl)propan-2-one;(2,6-dichlorophenyl)-[7-fluoro-1-(2-fluoro-4-methylphenyl)indol-3-yl]methanone;(2,6-dichlorophenyl)-[1-(2-fluoro-4-methylphenyl)indol-3-yl]methanone;1-[4-[2-(2,4-dichlorophenyl)propan-2-yloxy]-3-fluorophenyl]-3-(4-ethylsulfonylphenyl)propan-2-one;1-[4-[2-(2,4-dichlorophenyl)propan-2-yloxy]phenyl]-3-(4-ethylsulfonylphenyl)propan-2-one;1-[2-[2-(2,4-difluorophenoxy)propan-2-yl]-1-ethylbenzimidazol-5-yl]-3-(4-ethylsulfonylphenyl)propan-2-one

C182H164Cl10F8N6O22S5 — CID 162168316

IUPAC1-[4-[3-(4-chloro-3-fluorophenoxy)-3-methylbut-1-ynyl]phenyl]-3-(4-ethylsulfonylphenyl)propan-2-one;1-[2-[2-(4-chloro-3-fluorophenoxy)propan-2-yl]-1-ethylbenzimidazol-5-yl]-3-(4-ethylsulfonylphenyl)propan-2-one;(2,6-dichlorophenyl)-[7-fluoro-1-(2-fluoro-4-methylphenyl)indol-3-yl]methanone;(2,6-dichlorophenyl)-[1-(2-fluoro-4-methylphenyl)indol-3-yl]methanone;1-[4-[2-(2,4-dichlorophenyl)propan-2-yloxy]-3-fluorophenyl]-3-(4-ethylsulfonylphenyl)propan-2-one;1-[4-[2-(2,4-dichlorophenyl)propan-2-yloxy]phenyl]-3-(4-ethylsulfonylphenyl)propan-2-one;1-[2-[2-(2,4-difluorophenoxy)propan-2-yl]-1-ethylbenzimidazol-5-yl]-3-(4-ethylsulfonylphenyl)propan-2-one
SMILESCCS(=O)(=O)c1ccc(CC(=O)Cc2ccc(C#CC(C)(C)Oc3ccc(Cl)c(F)c3)cc2)cc1.CCS(=O)(=O)c1ccc(CC(=O)Cc2ccc(OC(C)(C)c3ccc(Cl)cc3Cl)c(F)c2)cc1.CCS(=O)(=O)c1ccc(CC(=O)Cc2ccc(OC(C)(C)c3ccc(Cl)cc3Cl)cc2)cc1.CCn1c(C(C)(C)Oc2ccc(Cl)c(F)c2)nc2cc(CC(=O)Cc3ccc(S(=O)(=O)CC)cc3)ccc21.CCn1c(C(C)(C)Oc2ccc(F)cc2F)nc2cc(CC(=O)Cc3ccc(S(=O)(=O)CC)cc3)ccc21.Cc1ccc(-n2cc(C(=O)c3c(Cl)cccc3Cl)c3cccc(F)c32)c(F)c1.Cc1ccc(-n2cc(C(=O)c3c(Cl)cccc3Cl)c3ccccc32)c(F)c1
InChIInChI=1S/C29H30ClFN2O4S.C29H30F2N2O4S.C28H26ClFO4S.C26H25Cl2FO4S.C26H26Cl2O4S.C22H13Cl2F2NO.C22H14Cl2FNO/c1-5-33-27-14-9-20(16-21(34)15-19-7-11-23(12-8-19)38(35,36)6-2)17-26(27)32-28(33)29(3,4)37-22-10-13-24(30)25(31)18-22;1-5-33-26-13-9-20(16-22(34)15-19-7-11-23(12-8-19)38(35,36)6-2)17-25(26)32-28(33)29(3,4)37-27-14-10-21(30)18-24(27)31;1-4-35(32,33)25-12-9-22(10-13-25)18-23(31)17-21-7-5-20(6-8-21)15-16-28(2,3)34-24-11-14-26(29)27(30)19-24;1-4-34(31,32)21-9-5-17(6-10-21)13-20(30)14-18-7-12-25(24(29)15-18)33-26(2,3)22-11-8-19(27)16-23(22)28;1-4-33(30,31)23-12-7-19(8-13-23)16-21(29)15-18-5-10-22(11-6-18)32-26(2,3)24-14-9-20(27)17-25(24)28;1-12-8-9-19(18(26)10-12)27-11-14(13-4-2-7-17(25)21(13)27)22(28)20-15(23)5-3-6-16(20)24;1-13-9-10-20(18(25)11-13)26-12-15(14-5-2-3-8-19(14)26)22(27)21-16(23)6-4-7-17(21)24/h2*7-14,17-18H,5-6,15-16H2,1-4H3;5-14,19H,4,17-18H2,1-3H3;5-12,15-16H,4,13-14H2,1-3H3;5-14,17H,4,15-16H2,1-3H3;2-11H,1H3;2-12H,1H3
InChIKeyZNLCXJQZHNKPTJ-UHFFFAOYSA-N
MW3454.18 g/mol
LogP44.36
Rot. Bonds52

About 1-[4-[3-(4-chloro-3-fluorophenoxy)-3-methylbut-1-ynyl]phenyl]-3-(4-ethylsulfonylphenyl)propan-2-one;1-[2-[2-(4-chloro-3-fluorophenoxy)propan-2-yl]-1-ethylbenzimidazol-5-yl]-3-(4-ethylsulfonylphenyl)propan-2-one;(2,6-dichlorophenyl)-[7-fluoro-1-(2-fluoro-4-methylphenyl)indol-3-yl]methanone;(2,6-dichlorophenyl)-[1-(2-fluoro-4-methylphenyl)indol-3-yl]methanone;1-[4-[2-(2,4-dichlorophenyl)propan-2-yloxy]-3-fluorophenyl]-3-(4-ethylsulfonylphenyl)propan-2-one;1-[4-[2-(2,4-dichlorophenyl)propan-2-yloxy]phenyl]-3-(4-ethylsulfonylphenyl)propan-2-one;1-[2-[2-(2,4-difluorophenoxy)propan-2-yl]-1-ethylbenzimidazol-5-yl]-3-(4-ethylsulfonylphenyl)propan-2-one

1-[4-[3-(4-chloro-3-fluorophenoxy)-3-methylbut-1-ynyl]phenyl]-3-(4-ethylsulfonylphenyl)propan-2-one;1-[2-[2-(4-chloro-3-fluorophenoxy)propan-2-yl]-1-ethylbenzimidazol-5-yl]-3-(4-ethylsulfonylphenyl)propan-2-one;(2,6-dichlorophenyl)-[7-fluoro-1-(2-fluoro-4-methylphenyl)indol-3-yl]methanone;(2,6-dichlorophenyl)-[1-(2-fluoro-4-methylphenyl)indol-3-yl]methanone;1-[4-[2-(2,4-dichlorophenyl)propan-2-yloxy]-3-fluorophenyl]-3-(4-ethylsulfonylphenyl)propan-2-one;1-[4-[2-(2,4-dichlorophenyl)propan-2-yloxy]phenyl]-3-(4-ethylsulfonylphenyl)propan-2-one;1-[2-[2-(2,4-difluorophenoxy)propan-2-yl]-1-ethylbenzimidazol-5-yl]-3-(4-ethylsulfonylphenyl)propan-2-one (PubChem CID 162168316) has the molecular formula C182H164Cl10F8N6O22S5 and a molecular weight of 3454.18 g/mol. Its IUPAC name is 1-[4-[3-(4-chloro-3-fluorophenoxy)-3-methylbut-1-ynyl]phenyl]-3-(4-ethylsulfonylphenyl)propan-2-one;1-[2-[2-(4-chloro-3-fluorophenoxy)propan-2-yl]-1-ethylbenzimidazol-5-yl]-3-(4-ethylsulfonylphenyl)propan-2-one;(2,6-dichlorophenyl)-[7-fluoro-1-(2-fluoro-4-methylphenyl)indol-3-yl]methanone;(2,6-dichlorophenyl)-[1-(2-fluoro-4-methylphenyl)indol-3-yl]methanone;1-[4-[2-(2,4-dichlorophenyl)propan-2-yloxy]-3-fluorophenyl]-3-(4-ethylsulfonylphenyl)propan-2-one;1-[4-[2-(2,4-dichlorophenyl)propan-2-yloxy]phenyl]-3-(4-ethylsulfonylphenyl)propan-2-one;1-[2-[2-(2,4-difluorophenoxy)propan-2-yl]-1-ethylbenzimidazol-5-yl]-3-(4-ethylsulfonylphenyl)propan-2-one.

Molecular Properties

Compound Name1-[4-[3-(4-chloro-3-fluorophenoxy)-3-methylbut-1-ynyl]phenyl]-3-(4-ethylsulfonylphenyl)propan-2-one;1-[2-[2-(4-chloro-3-fluorophenoxy)propan-2-yl]-1-ethylbenzimidazol-5-yl]-3-(4-ethylsulfonylphenyl)propan-2-one;(2,6-dichlorophenyl)-[7-fluoro-1-(2-fluoro-4-methylphenyl)indol-3-yl]methanone;(2,6-dichlorophenyl)-[1-(2-fluoro-4-methylphenyl)indol-3-yl]methanone;1-[4-[2-(2,4-dichlorophenyl)propan-2-yloxy]-3-fluorophenyl]-3-(4-ethylsulfonylphenyl)propan-2-one;1-[4-[2-(2,4-dichlorophenyl)propan-2-yloxy]phenyl]-3-(4-ethylsulfonylphenyl)propan-2-one;1-[2-[2-(2,4-difluorophenoxy)propan-2-yl]-1-ethylbenzimidazol-5-yl]-3-(4-ethylsulfonylphenyl)propan-2-one
PubChem CID162168316
Molecular FormulaC182H164Cl10F8N6O22S5
Molecular Weight3454.18 g/mol
Exact Mass3446.73
IUPAC Name1-[4-[3-(4-chloro-3-fluorophenoxy)-3-methylbut-1-ynyl]phenyl]-3-(4-ethylsulfonylphenyl)propan-2-one;1-[2-[2-(4-chloro-3-fluorophenoxy)propan-2-yl]-1-ethylbenzimidazol-5-yl]-3-(4-ethylsulfonylphenyl)propan-2-one;(2,6-dichlorophenyl)-[7-fluoro-1-(2-fluoro-4-methylphenyl)indol-3-yl]methanone;(2,6-dichlorophenyl)-[1-(2-fluoro-4-methylphenyl)indol-3-yl]methanone;1-[4-[2-(2,4-dichlorophenyl)propan-2-yloxy]-3-fluorophenyl]-3-(4-ethylsulfonylphenyl)propan-2-one;1-[4-[2-(2,4-dichlorophenyl)propan-2-yloxy]phenyl]-3-(4-ethylsulfonylphenyl)propan-2-one;1-[2-[2-(2,4-difluorophenoxy)propan-2-yl]-1-ethylbenzimidazol-5-yl]-3-(4-ethylsulfonylphenyl)propan-2-one
SMILESCCS(=O)(=O)c1ccc(CC(=O)Cc2ccc(C#CC(C)(C)Oc3ccc(Cl)c(F)c3)cc2)cc1.CCS(=O)(=O)c1ccc(CC(=O)Cc2ccc(OC(C)(C)c3ccc(Cl)cc3Cl)c(F)c2)cc1.CCS(=O)(=O)c1ccc(CC(=O)Cc2ccc(OC(C)(C)c3ccc(Cl)cc3Cl)cc2)cc1.CCn1c(C(C)(C)Oc2ccc(Cl)c(F)c2)nc2cc(CC(=O)Cc3ccc(S(=O)(=O)CC)cc3)ccc21.CCn1c(C(C)(C)Oc2ccc(F)cc2F)nc2cc(CC(=O)Cc3ccc(S(=O)(=O)CC)cc3)ccc21.Cc1ccc(-n2cc(C(=O)c3c(Cl)cccc3Cl)c3cccc(F)c32)c(F)c1.Cc1ccc(-n2cc(C(=O)c3c(Cl)cccc3Cl)c3ccccc32)c(F)c1
InChIInChI=1S/C29H30ClFN2O4S.C29H30F2N2O4S.C28H26ClFO4S.C26H25Cl2FO4S.C26H26Cl2O4S.C22H13Cl2F2NO.C22H14Cl2FNO/c1-5-33-27-14-9-20(16-21(34)15-19-7-11-23(12-8-19)38(35,36)6-2)17-26(27)32-28(33)29(3,4)37-22-10-13-24(30)25(31)18-22;1-5-33-26-13-9-20(16-22(34)15-19-7-11-23(12-8-19)38(35,36)6-2)17-25(26)32-28(33)29(3,4)37-27-14-10-21(30)18-24(27)31;1-4-35(32,33)25-12-9-22(10-13-25)18-23(31)17-21-7-5-20(6-8-21)15-16-28(2,3)34-24-11-14-26(29)27(30)19-24;1-4-34(31,32)21-9-5-17(6-10-21)13-20(30)14-18-7-12-25(24(29)15-18)33-26(2,3)22-11-8-19(27)16-23(22)28;1-4-33(30,31)23-12-7-19(8-13-23)16-21(29)15-18-5-10-22(11-6-18)32-26(2,3)24-14-9-20(27)17-25(24)28;1-12-8-9-19(18(26)10-12)27-11-14(13-4-2-7-17(25)21(13)27)22(28)20-15(23)5-3-6-16(20)24;1-13-9-10-20(18(25)11-13)26-12-15(14-5-2-3-8-19(14)26)22(27)21-16(23)6-4-7-17(21)24/h2*7-14,17-18H,5-6,15-16H2,1-4H3;5-14,19H,4,17-18H2,1-3H3;5-12,15-16H,4,13-14H2,1-3H3;5-14,17H,4,15-16H2,1-3H3;2-11H,1H3;2-12H,1H3
InChIKeyZNLCXJQZHNKPTJ-UHFFFAOYSA-N
XLogP44.36
TPSA381.84 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds52
Heavy Atoms233
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003454.18
LogP ≤ 544.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

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

Analyze 1-[4-[3-(4-chloro-3-fluorophenoxy)-3-methylbut-1-ynyl]phenyl]-3-(4-ethylsulfonylphenyl)propan-2-one;1-[2-[2-(4-chloro-3-fluorophenoxy)propan-2-yl]-1-ethylbenzimidazol-5-yl]-3-(4-ethylsulfonylphenyl)propan-2-one;(2,6-dichlorophenyl)-[7-fluoro-1-(2-fluoro-4-methylphenyl)indol-3-yl]methanone;(2,6-dichlorophenyl)-[1-(2-fluoro-4-methylphenyl)indol-3-yl]methanone;1-[4-[2-(2,4-dichlorophenyl)propan-2-yloxy]-3-fluorophenyl]-3-(4-ethylsulfonylphenyl)propan-2-one;1-[4-[2-(2,4-dichlorophenyl)propan-2-yloxy]phenyl]-3-(4-ethylsulfonylphenyl)propan-2-one;1-[2-[2-(2,4-difluorophenoxy)propan-2-yl]-1-ethylbenzimidazol-5-yl]-3-(4-ethylsulfonylphenyl)propan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(4-chloro-3-fluorophenoxy)-3-methylbut-1-ynyl]phenyl]-3-(4-ethylsulfonylphenyl)propan-2-one;1-[2-[2-(4-chloro-3-fluorophenoxy)propan-2-yl]-1-ethylbenzimidazol-5-yl]-3-(4-ethylsulfonylphenyl)propan-2-one;(2,6-dichlorophenyl)-[7-fluoro-1-(2-fluoro-4-methylphenyl)indol-3-yl]methanone;(2,6-dichlorophenyl)-[1-(2-fluoro-4-methylphenyl)indol-3-yl]methanone;1-[4-[2-(2,4-dichlorophenyl)propan-2-yloxy]-3-fluorophenyl]-3-(4-ethylsulfonylphenyl)propan-2-one;1-[4-[2-(2,4-dichlorophenyl)propan-2-yloxy]phenyl]-3-(4-ethylsulfonylphenyl)propan-2-one;1-[2-[2-(2,4-difluorophenoxy)propan-2-yl]-1-ethylbenzimidazol-5-yl]-3-(4-ethylsulfonylphenyl)propan-2-one?
The IUPAC name of 1-[4-[3-(4-chloro-3-fluorophenoxy)-3-methylbut-1-ynyl]phenyl]-3-(4-ethylsulfonylphenyl)propan-2-one;1-[2-[2-(4-chloro-3-fluorophenoxy)propan-2-yl]-1-ethylbenzimidazol-5-yl]-3-(4-ethylsulfonylphenyl)propan-2-one;(2,6-dichlorophenyl)-[7-fluoro-1-(2-fluoro-4-methylphenyl)indol-3-yl]methanone;(2,6-dichlorophenyl)-[1-(2-fluoro-4-methylphenyl)indol-3-yl]methanone;1-[4-[2-(2,4-dichlorophenyl)propan-2-yloxy]-3-fluorophenyl]-3-(4-ethylsulfonylphenyl)propan-2-one;1-[4-[2-(2,4-dichlorophenyl)propan-2-yloxy]phenyl]-3-(4-ethylsulfonylphenyl)propan-2-one;1-[2-[2-(2,4-difluorophenoxy)propan-2-yl]-1-ethylbenzimidazol-5-yl]-3-(4-ethylsulfonylphenyl)propan-2-one (CID 162168316) is 1-[4-[3-(4-chloro-3-fluorophenoxy)-3-methylbut-1-ynyl]phenyl]-3-(4-ethylsulfonylphenyl)propan-2-one;1-[2-[2-(4-chloro-3-fluorophenoxy)propan-2-yl]-1-ethylbenzimidazol-5-yl]-3-(4-ethylsulfonylphenyl)propan-2-one;(2,6-dichlorophenyl)-[7-fluoro-1-(2-fluoro-4-methylphenyl)indol-3-yl]methanone;(2,6-dichlorophenyl)-[1-(2-fluoro-4-methylphenyl)indol-3-yl]methanone;1-[4-[2-(2,4-dichlorophenyl)propan-2-yloxy]-3-fluorophenyl]-3-(4-ethylsulfonylphenyl)propan-2-one;1-[4-[2-(2,4-dichlorophenyl)propan-2-yloxy]phenyl]-3-(4-ethylsulfonylphenyl)propan-2-one;1-[2-[2-(2,4-difluorophenoxy)propan-2-yl]-1-ethylbenzimidazol-5-yl]-3-(4-ethylsulfonylphenyl)propan-2-one.
What is the SMILES notation for 1-[4-[3-(4-chloro-3-fluorophenoxy)-3-methylbut-1-ynyl]phenyl]-3-(4-ethylsulfonylphenyl)propan-2-one;1-[2-[2-(4-chloro-3-fluorophenoxy)propan-2-yl]-1-ethylbenzimidazol-5-yl]-3-(4-ethylsulfonylphenyl)propan-2-one;(2,6-dichlorophenyl)-[7-fluoro-1-(2-fluoro-4-methylphenyl)indol-3-yl]methanone;(2,6-dichlorophenyl)-[1-(2-fluoro-4-methylphenyl)indol-3-yl]methanone;1-[4-[2-(2,4-dichlorophenyl)propan-2-yloxy]-3-fluorophenyl]-3-(4-ethylsulfonylphenyl)propan-2-one;1-[4-[2-(2,4-dichlorophenyl)propan-2-yloxy]phenyl]-3-(4-ethylsulfonylphenyl)propan-2-one;1-[2-[2-(2,4-difluorophenoxy)propan-2-yl]-1-ethylbenzimidazol-5-yl]-3-(4-ethylsulfonylphenyl)propan-2-one?
The canonical SMILES for 1-[4-[3-(4-chloro-3-fluorophenoxy)-3-methylbut-1-ynyl]phenyl]-3-(4-ethylsulfonylphenyl)propan-2-one;1-[2-[2-(4-chloro-3-fluorophenoxy)propan-2-yl]-1-ethylbenzimidazol-5-yl]-3-(4-ethylsulfonylphenyl)propan-2-one;(2,6-dichlorophenyl)-[7-fluoro-1-(2-fluoro-4-methylphenyl)indol-3-yl]methanone;(2,6-dichlorophenyl)-[1-(2-fluoro-4-methylphenyl)indol-3-yl]methanone;1-[4-[2-(2,4-dichlorophenyl)propan-2-yloxy]-3-fluorophenyl]-3-(4-ethylsulfonylphenyl)propan-2-one;1-[4-[2-(2,4-dichlorophenyl)propan-2-yloxy]phenyl]-3-(4-ethylsulfonylphenyl)propan-2-one;1-[2-[2-(2,4-difluorophenoxy)propan-2-yl]-1-ethylbenzimidazol-5-yl]-3-(4-ethylsulfonylphenyl)propan-2-one is CCS(=O)(=O)c1ccc(CC(=O)Cc2ccc(C#CC(C)(C)Oc3ccc(Cl)c(F)c3)cc2)cc1.CCS(=O)(=O)c1ccc(CC(=O)Cc2ccc(OC(C)(C)c3ccc(Cl)cc3Cl)c(F)c2)cc1.CCS(=O)(=O)c1ccc(CC(=O)Cc2ccc(OC(C)(C)c3ccc(Cl)cc3Cl)cc2)cc1.CCn1c(C(C)(C)Oc2ccc(Cl)c(F)c2)nc2cc(CC(=O)Cc3ccc(S(=O)(=O)CC)cc3)ccc21.CCn1c(C(C)(C)Oc2ccc(F)cc2F)nc2cc(CC(=O)Cc3ccc(S(=O)(=O)CC)cc3)ccc21.Cc1ccc(-n2cc(C(=O)c3c(Cl)cccc3Cl)c3cccc(F)c32)c(F)c1.Cc1ccc(-n2cc(C(=O)c3c(Cl)cccc3Cl)c3ccccc32)c(F)c1.
What is the InChIKey of 1-[4-[3-(4-chloro-3-fluorophenoxy)-3-methylbut-1-ynyl]phenyl]-3-(4-ethylsulfonylphenyl)propan-2-one;1-[2-[2-(4-chloro-3-fluorophenoxy)propan-2-yl]-1-ethylbenzimidazol-5-yl]-3-(4-ethylsulfonylphenyl)propan-2-one;(2,6-dichlorophenyl)-[7-fluoro-1-(2-fluoro-4-methylphenyl)indol-3-yl]methanone;(2,6-dichlorophenyl)-[1-(2-fluoro-4-methylphenyl)indol-3-yl]methanone;1-[4-[2-(2,4-dichlorophenyl)propan-2-yloxy]-3-fluorophenyl]-3-(4-ethylsulfonylphenyl)propan-2-one;1-[4-[2-(2,4-dichlorophenyl)propan-2-yloxy]phenyl]-3-(4-ethylsulfonylphenyl)propan-2-one;1-[2-[2-(2,4-difluorophenoxy)propan-2-yl]-1-ethylbenzimidazol-5-yl]-3-(4-ethylsulfonylphenyl)propan-2-one?
The InChIKey is ZNLCXJQZHNKPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30ClFN2O4S.C29H30F2N2O4S.C28H26ClFO4S.C26H25Cl2FO4S.C26H26Cl2O4S.C22H13Cl2F2NO.C22H14Cl2FNO/c1-5-33-27-14-9-20(16-21(34)15-19-7-11-23(12-8-19)38(35,36)6-2)17-26(27)32-28(33)29(3,4)37-22-10-13-24(30)25(31)18-22;1-5-33-26-13-9-20(16-22(34)15-19-7-11-23(12-8-19)38(35,36)6-2)17-25(26)32-28(33)29(3,4)37-27-14-10-21(30)18-24(27)31;1-4-35(32,33)25-12-9-22(10-13-25)18-23(31)17-21-7-5-20(6-8-21)15-16-28(2,3)34-24-11-14-26(29)27(30)19-24;1-4-34(31,32)21-9-5-17(6-10-21)13-20(30)14-18-7-12-25(24(29)15-18)33-26(2,3)22-11-8-19(27)16-23(22)28;1-4-33(30,31)23-12-7-19(8-13-23)16-21(29)15-18-5-10-22(11-6-18)32-26(2,3)24-14-9-20(27)17-25(24)28;1-12-8-9-19(18(26)10-12)27-11-14(13-4-2-7-17(25)21(13)27)22(28)20-15(23)5-3-6-16(20)24;1-13-9-10-20(18(25)11-13)26-12-15(14-5-2-3-8-19(14)26)22(27)21-16(23)6-4-7-17(21)24/h2*7-14,17-18H,5-6,15-16H2,1-4H3;5-14,19H,4,17-18H2,1-3H3;5-12,15-16H,4,13-14H2,1-3H3;5-14,17H,4,15-16H2,1-3H3;2-11H,1H3;2-12H,1H3.
What are the key properties of 1-[4-[3-(4-chloro-3-fluorophenoxy)-3-methylbut-1-ynyl]phenyl]-3-(4-ethylsulfonylphenyl)propan-2-one;1-[2-[2-(4-chloro-3-fluorophenoxy)propan-2-yl]-1-ethylbenzimidazol-5-yl]-3-(4-ethylsulfonylphenyl)propan-2-one;(2,6-dichlorophenyl)-[7-fluoro-1-(2-fluoro-4-methylphenyl)indol-3-yl]methanone;(2,6-dichlorophenyl)-[1-(2-fluoro-4-methylphenyl)indol-3-yl]methanone;1-[4-[2-(2,4-dichlorophenyl)propan-2-yloxy]-3-fluorophenyl]-3-(4-ethylsulfonylphenyl)propan-2-one;1-[4-[2-(2,4-dichlorophenyl)propan-2-yloxy]phenyl]-3-(4-ethylsulfonylphenyl)propan-2-one;1-[2-[2-(2,4-difluorophenoxy)propan-2-yl]-1-ethylbenzimidazol-5-yl]-3-(4-ethylsulfonylphenyl)propan-2-one?
1-[4-[3-(4-chloro-3-fluorophenoxy)-3-methylbut-1-ynyl]phenyl]-3-(4-ethylsulfonylphenyl)propan-2-one;1-[2-[2-(4-chloro-3-fluorophenoxy)propan-2-yl]-1-ethylbenzimidazol-5-yl]-3-(4-ethylsulfonylphenyl)propan-2-one;(2,6-dichlorophenyl)-[7-fluoro-1-(2-fluoro-4-methylphenyl)indol-3-yl]methanone;(2,6-dichlorophenyl)-[1-(2-fluoro-4-methylphenyl)indol-3-yl]methanone;1-[4-[2-(2,4-dichlorophenyl)propan-2-yloxy]-3-fluorophenyl]-3-(4-ethylsulfonylphenyl)propan-2-one;1-[4-[2-(2,4-dichlorophenyl)propan-2-yloxy]phenyl]-3-(4-ethylsulfonylphenyl)propan-2-one;1-[2-[2-(2,4-difluorophenoxy)propan-2-yl]-1-ethylbenzimidazol-5-yl]-3-(4-ethylsulfonylphenyl)propan-2-one has a molecular weight of 3454.18 g/mol, XLogP of 44.36, 52 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(4-chloro-3-fluorophenoxy)-3-methylbut-1-ynyl]phenyl]-3-(4-ethylsulfonylphenyl)propan-2-one;1-[2-[2-(4-chloro-3-fluorophenoxy)propan-2-yl]-1-ethylbenzimidazol-5-yl]-3-(4-ethylsulfonylphenyl)propan-2-one;(2,6-dichlorophenyl)-[7-fluoro-1-(2-fluoro-4-methylphenyl)indol-3-yl]methanone;(2,6-dichlorophenyl)-[1-(2-fluoro-4-methylphenyl)indol-3-yl]methanone;1-[4-[2-(2,4-dichlorophenyl)propan-2-yloxy]-3-fluorophenyl]-3-(4-ethylsulfonylphenyl)propan-2-one;1-[4-[2-(2,4-dichlorophenyl)propan-2-yloxy]phenyl]-3-(4-ethylsulfonylphenyl)propan-2-one;1-[2-[2-(2,4-difluorophenoxy)propan-2-yl]-1-ethylbenzimidazol-5-yl]-3-(4-ethylsulfonylphenyl)propan-2-one is sourced from PubChem (CID 162168316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).