(5-chloro-2-methylphenyl)-[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethyl]phenoxy]-1-benzothiophen-2-yl]methanone;(2,5-dimethylphenyl)-[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethyl]phenoxy]-1-benzothiophen-2-yl]methanone;(5-fluoro-2-methylphenyl)-[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethyl]phenoxy]-1-benzothiophen-2-yl]methanone;[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethyl]phenoxy]-1-benzothiophen-2-yl]-[4-(trifluoromethyl)phenyl]methanone

C117H113ClF4N4O12S4 — CID 158157138

IUPAC(5-chloro-2-methylphenyl)-[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethyl]phenoxy]-1-benzothiophen-2-yl]methanone;(2,5-dimethylphenyl)-[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethyl]phenoxy]-1-benzothiophen-2-yl]methanone;(5-fluoro-2-methylphenyl)-[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethyl]phenoxy]-1-benzothiophen-2-yl]methanone;[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethyl]phenoxy]-1-benzothiophen-2-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESC[C@H]1CCN(CCc2ccc(Oc3c(C(=O)c4ccc(C(F)(F)F)cc4)sc4cc(O)ccc34)cc2)C1.Cc1ccc(C)c(C(=O)c2sc3cc(O)ccc3c2Oc2ccc(CCN3CC[C@H](C)C3)cc2)c1.Cc1ccc(Cl)cc1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(CCN2CC[C@H](C)C2)cc1.Cc1ccc(F)cc1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(CCN2CC[C@H](C)C2)cc1
InChIInChI=1S/C30H31NO3S.C29H28ClNO3S.C29H26F3NO3S.C29H28FNO3S/c1-19-4-5-21(3)26(16-19)28(33)30-29(25-11-8-23(32)17-27(25)35-30)34-24-9-6-22(7-10-24)13-15-31-14-12-20(2)18-31;1-18-11-13-31(17-18)14-12-20-4-8-23(9-5-20)34-28-24-10-7-22(32)16-26(24)35-29(28)27(33)25-15-21(30)6-3-19(25)2;1-18-12-14-33(17-18)15-13-19-2-9-23(10-3-19)36-27-24-11-8-22(34)16-25(24)37-28(27)26(35)20-4-6-21(7-5-20)29(30,31)32;1-18-11-13-31(17-18)14-12-20-4-8-23(9-5-20)34-28-24-10-7-22(32)16-26(24)35-29(28)27(33)25-15-21(30)6-3-19(25)2/h4-11,16-17,20,32H,12-15,18H2,1-3H3;3-10,15-16,18,32H,11-14,17H2,1-2H3;2-11,16,18,34H,12-15,17H2,1H3;3-10,15-16,18,32H,11-14,17H2,1-2H3/t20-;3*18-/m0000/s1
InChIKeyFVVDTFNBJFYXJG-CZIZVMTPSA-N
MW2006.92 g/mol
LogP29.10
Rot. Bonds28

About (5-chloro-2-methylphenyl)-[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethyl]phenoxy]-1-benzothiophen-2-yl]methanone;(2,5-dimethylphenyl)-[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethyl]phenoxy]-1-benzothiophen-2-yl]methanone;(5-fluoro-2-methylphenyl)-[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethyl]phenoxy]-1-benzothiophen-2-yl]methanone;[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethyl]phenoxy]-1-benzothiophen-2-yl]-[4-(trifluoromethyl)phenyl]methanone

(5-chloro-2-methylphenyl)-[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethyl]phenoxy]-1-benzothiophen-2-yl]methanone;(2,5-dimethylphenyl)-[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethyl]phenoxy]-1-benzothiophen-2-yl]methanone;(5-fluoro-2-methylphenyl)-[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethyl]phenoxy]-1-benzothiophen-2-yl]methanone;[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethyl]phenoxy]-1-benzothiophen-2-yl]-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 158157138) has the molecular formula C117H113ClF4N4O12S4 and a molecular weight of 2006.92 g/mol. Its IUPAC name is (5-chloro-2-methylphenyl)-[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethyl]phenoxy]-1-benzothiophen-2-yl]methanone;(2,5-dimethylphenyl)-[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethyl]phenoxy]-1-benzothiophen-2-yl]methanone;(5-fluoro-2-methylphenyl)-[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethyl]phenoxy]-1-benzothiophen-2-yl]methanone;[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethyl]phenoxy]-1-benzothiophen-2-yl]-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(5-chloro-2-methylphenyl)-[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethyl]phenoxy]-1-benzothiophen-2-yl]methanone;(2,5-dimethylphenyl)-[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethyl]phenoxy]-1-benzothiophen-2-yl]methanone;(5-fluoro-2-methylphenyl)-[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethyl]phenoxy]-1-benzothiophen-2-yl]methanone;[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethyl]phenoxy]-1-benzothiophen-2-yl]-[4-(trifluoromethyl)phenyl]methanone
PubChem CID158157138
Molecular FormulaC117H113ClF4N4O12S4
Molecular Weight2006.92 g/mol
Exact Mass2004.69
IUPAC Name(5-chloro-2-methylphenyl)-[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethyl]phenoxy]-1-benzothiophen-2-yl]methanone;(2,5-dimethylphenyl)-[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethyl]phenoxy]-1-benzothiophen-2-yl]methanone;(5-fluoro-2-methylphenyl)-[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethyl]phenoxy]-1-benzothiophen-2-yl]methanone;[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethyl]phenoxy]-1-benzothiophen-2-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESC[C@H]1CCN(CCc2ccc(Oc3c(C(=O)c4ccc(C(F)(F)F)cc4)sc4cc(O)ccc34)cc2)C1.Cc1ccc(C)c(C(=O)c2sc3cc(O)ccc3c2Oc2ccc(CCN3CC[C@H](C)C3)cc2)c1.Cc1ccc(Cl)cc1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(CCN2CC[C@H](C)C2)cc1.Cc1ccc(F)cc1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(CCN2CC[C@H](C)C2)cc1
InChIInChI=1S/C30H31NO3S.C29H28ClNO3S.C29H26F3NO3S.C29H28FNO3S/c1-19-4-5-21(3)26(16-19)28(33)30-29(25-11-8-23(32)17-27(25)35-30)34-24-9-6-22(7-10-24)13-15-31-14-12-20(2)18-31;1-18-11-13-31(17-18)14-12-20-4-8-23(9-5-20)34-28-24-10-7-22(32)16-26(24)35-29(28)27(33)25-15-21(30)6-3-19(25)2;1-18-12-14-33(17-18)15-13-19-2-9-23(10-3-19)36-27-24-11-8-22(34)16-25(24)37-28(27)26(35)20-4-6-21(7-5-20)29(30,31)32;1-18-11-13-31(17-18)14-12-20-4-8-23(9-5-20)34-28-24-10-7-22(32)16-26(24)35-29(28)27(33)25-15-21(30)6-3-19(25)2/h4-11,16-17,20,32H,12-15,18H2,1-3H3;3-10,15-16,18,32H,11-14,17H2,1-2H3;2-11,16,18,34H,12-15,17H2,1H3;3-10,15-16,18,32H,11-14,17H2,1-2H3/t20-;3*18-/m0000/s1
InChIKeyFVVDTFNBJFYXJG-CZIZVMTPSA-N
XLogP29.10
TPSA199.08 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds28
Heavy Atoms142
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002006.92
LogP ≤ 529.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Analyze (5-chloro-2-methylphenyl)-[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethyl]phenoxy]-1-benzothiophen-2-yl]methanone;(2,5-dimethylphenyl)-[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethyl]phenoxy]-1-benzothiophen-2-yl]methanone;(5-fluoro-2-methylphenyl)-[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethyl]phenoxy]-1-benzothiophen-2-yl]methanone;[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethyl]phenoxy]-1-benzothiophen-2-yl]-[4-(trifluoromethyl)phenyl]methanone with MolForge

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Related Compounds

(4-chlorophenyl)-[6-[(4R)-1-[2-[4-[[2-(2,5-dimethylbenzoyl)-6-hydroxy-1-benzothiophen-3-yl]oxy]phenyl]ethyl]-4-methylpyrrolidin-3-yl]oxy-3-[4-[2-[(3R)-3-methyl-4-[[3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethyl]phenoxy]-2-[2-(trifluoromethyl)benzoyl]-1-benzothiophen-6-yl]oxy]pyrrolidin-1-yl]ethyl]phenoxy]-1-benzothiophen-2-yl]methanone
CID 163988730
(5-chloro-2-methylphenyl)-[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy]phenoxy]-1-benzothiophen-2-yl]methanone;(2-chlorophenyl)-[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy]phenoxy]-1-benzothiophen-2-yl]methanone;(4-chlorophenyl)-[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy]phenoxy]-1-benzothiophen-2-yl]methanone;[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy]phenoxy]-1-benzothiophen-2-yl]-[2-(trifluoromethyl)phenyl]methanone;[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy]phenoxy]-1-benzothiophen-2-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 160853370
(2,4-dimethylphenyl)-[6-hydroxy-3-[4-[2-[3-(trifluoromethyl)azetidin-1-yl]ethyl]phenoxy]-1-benzothiophen-2-yl]methanone;(2,5-dimethylphenyl)-[6-hydroxy-3-[4-[2-[3-(trifluoromethyl)azetidin-1-yl]ethyl]phenoxy]-1-benzothiophen-2-yl]methanone;(2-fluorophenyl)-[6-hydroxy-3-[4-[2-[3-(trifluoromethyl)azetidin-1-yl]ethyl]phenoxy]-1-benzothiophen-2-yl]methanone;(4-fluorophenyl)-[6-hydroxy-3-[4-[2-[3-(trifluoromethyl)azetidin-1-yl]ethyl]phenoxy]-1-benzothiophen-2-yl]methanone
CID 162088661
(4-chloro-2,6-dimethylphenyl)-[3-[4-[2-(ethylamino)ethyl]phenoxy]-6-hydroxy-1-benzothiophen-2-yl]methanone;[3-[4-[2-(ethylamino)ethyl]phenoxy]-6-hydroxy-1-benzothiophen-2-yl]-(4-fluoro-2-methylphenyl)methanone;[3-[4-[2-(ethylamino)ethyl]phenoxy]-6-hydroxy-1-benzothiophen-2-yl]-(2,4,6-trimethylphenyl)methanone
CID 160859887
[3-[4-[[(3R)-1-butylpyrrolidin-3-yl]amino]phenoxy]-6-hydroxy-1-benzothiophen-2-yl]-(4-fluoro-2,6-dimethylphenyl)methanone;[3-[4-[[(3R)-1-butylpyrrolidin-3-yl]amino]phenoxy]-6-hydroxy-1-benzothiophen-2-yl]-(4-fluoro-2-methylphenyl)methanone;[3-[4-[[(3S)-1-butylpyrrolidin-3-yl]amino]phenoxy]-6-hydroxy-1-benzothiophen-2-yl]-(4-fluorophenyl)methanone
CID 163770644
(2,5-dimethylphenyl)-[6-hydroxy-3-[4-[2-[3-(trifluoromethyl)azetidin-1-yl]ethyl]anilino]-1-benzothiophen-2-yl]methanone
CID 163858750
(4-chloro-2,6-dimethylphenyl)-[6-hydroxy-3-[4-[2-[(3R)-3-methylpyrrolidin-1-yl]ethoxy]phenyl]-1-benzothiophen-2-yl]methanone;(2-chloro-4-fluorophenyl)-[6-hydroxy-3-[4-[2-[(3R)-3-methylpyrrolidin-1-yl]ethoxy]phenyl]-1-benzothiophen-2-yl]methanone;[6-hydroxy-3-[4-[2-[(3R)-3-methylpyrrolidin-1-yl]ethoxy]phenyl]-1-benzothiophen-2-yl]-(2,4,6-trimethylphenyl)methanone
CID 159599936
[3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenoxy]-6-hydroxy-1-benzothiophen-2-yl]-(2-fluorophenyl)methanone;[3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenoxy]-6-hydroxy-1-benzothiophen-2-yl]-(4-fluorophenyl)methanone;[3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenoxy]-6-hydroxy-1-benzothiophen-2-yl]-(2-methylphenyl)methanone;[3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenoxy]-6-hydroxy-1-benzothiophen-2-yl]-(4-methylphenyl)methanone;[3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenoxy]-6-hydroxy-1-benzothiophen-2-yl]-phenylmethanone
CID 158688234
(4-fluorophenyl)-[3-[4-[[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]amino]phenoxy]-6-hydroxy-1-benzothiophen-2-yl]methanone
CID 139408886
[3-[4-[2-(azetidin-1-yl)ethoxy]phenoxy]-6-hydroxy-1-benzothiophen-2-yl]-(2-methylphenyl)methanone;[3-[4-[[(3R)-1-butylpyrrolidin-3-yl]amino]phenoxy]-6-hydroxy-1-benzothiophen-2-yl]-(4-fluorophenyl)methanone;[6-hydroxy-3-[4-[2-(3-methylazetidin-1-yl)ethoxy]phenoxy]-1-benzothiophen-2-yl]-(2-methylphenyl)methanone
CID 163806258
[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy]phenyl]-1-benzothiophen-2-yl]-(2-methylphenyl)methanone;[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy]phenyl]-1-benzothiophen-2-yl]-(4-methylphenyl)methanone;[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy]phenyl]-1-benzothiophen-2-yl]-phenylmethanone
CID 158662486
1-[2-[4-[[2-[1-(2-fluorocyclohexa-1,3-dien-1-yl)ethenyl]-6-methyl-1-benzothiophen-3-yl]oxy]phenyl]ethyl]-3-methylpyrrolidine
CID 142412245

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methylphenyl)-[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethyl]phenoxy]-1-benzothiophen-2-yl]methanone;(2,5-dimethylphenyl)-[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethyl]phenoxy]-1-benzothiophen-2-yl]methanone;(5-fluoro-2-methylphenyl)-[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethyl]phenoxy]-1-benzothiophen-2-yl]methanone;[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethyl]phenoxy]-1-benzothiophen-2-yl]-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (5-chloro-2-methylphenyl)-[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethyl]phenoxy]-1-benzothiophen-2-yl]methanone;(2,5-dimethylphenyl)-[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethyl]phenoxy]-1-benzothiophen-2-yl]methanone;(5-fluoro-2-methylphenyl)-[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethyl]phenoxy]-1-benzothiophen-2-yl]methanone;[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethyl]phenoxy]-1-benzothiophen-2-yl]-[4-(trifluoromethyl)phenyl]methanone (CID 158157138) is (5-chloro-2-methylphenyl)-[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethyl]phenoxy]-1-benzothiophen-2-yl]methanone;(2,5-dimethylphenyl)-[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethyl]phenoxy]-1-benzothiophen-2-yl]methanone;(5-fluoro-2-methylphenyl)-[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethyl]phenoxy]-1-benzothiophen-2-yl]methanone;[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethyl]phenoxy]-1-benzothiophen-2-yl]-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (5-chloro-2-methylphenyl)-[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethyl]phenoxy]-1-benzothiophen-2-yl]methanone;(2,5-dimethylphenyl)-[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethyl]phenoxy]-1-benzothiophen-2-yl]methanone;(5-fluoro-2-methylphenyl)-[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethyl]phenoxy]-1-benzothiophen-2-yl]methanone;[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethyl]phenoxy]-1-benzothiophen-2-yl]-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (5-chloro-2-methylphenyl)-[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethyl]phenoxy]-1-benzothiophen-2-yl]methanone;(2,5-dimethylphenyl)-[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethyl]phenoxy]-1-benzothiophen-2-yl]methanone;(5-fluoro-2-methylphenyl)-[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethyl]phenoxy]-1-benzothiophen-2-yl]methanone;[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethyl]phenoxy]-1-benzothiophen-2-yl]-[4-(trifluoromethyl)phenyl]methanone is C[C@H]1CCN(CCc2ccc(Oc3c(C(=O)c4ccc(C(F)(F)F)cc4)sc4cc(O)ccc34)cc2)C1.Cc1ccc(C)c(C(=O)c2sc3cc(O)ccc3c2Oc2ccc(CCN3CC[C@H](C)C3)cc2)c1.Cc1ccc(Cl)cc1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(CCN2CC[C@H](C)C2)cc1.Cc1ccc(F)cc1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(CCN2CC[C@H](C)C2)cc1.
What is the InChIKey of (5-chloro-2-methylphenyl)-[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethyl]phenoxy]-1-benzothiophen-2-yl]methanone;(2,5-dimethylphenyl)-[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethyl]phenoxy]-1-benzothiophen-2-yl]methanone;(5-fluoro-2-methylphenyl)-[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethyl]phenoxy]-1-benzothiophen-2-yl]methanone;[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethyl]phenoxy]-1-benzothiophen-2-yl]-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is FVVDTFNBJFYXJG-CZIZVMTPSA-N. The full InChI is InChI=1S/C30H31NO3S.C29H28ClNO3S.C29H26F3NO3S.C29H28FNO3S/c1-19-4-5-21(3)26(16-19)28(33)30-29(25-11-8-23(32)17-27(25)35-30)34-24-9-6-22(7-10-24)13-15-31-14-12-20(2)18-31;1-18-11-13-31(17-18)14-12-20-4-8-23(9-5-20)34-28-24-10-7-22(32)16-26(24)35-29(28)27(33)25-15-21(30)6-3-19(25)2;1-18-12-14-33(17-18)15-13-19-2-9-23(10-3-19)36-27-24-11-8-22(34)16-25(24)37-28(27)26(35)20-4-6-21(7-5-20)29(30,31)32;1-18-11-13-31(17-18)14-12-20-4-8-23(9-5-20)34-28-24-10-7-22(32)16-26(24)35-29(28)27(33)25-15-21(30)6-3-19(25)2/h4-11,16-17,20,32H,12-15,18H2,1-3H3;3-10,15-16,18,32H,11-14,17H2,1-2H3;2-11,16,18,34H,12-15,17H2,1H3;3-10,15-16,18,32H,11-14,17H2,1-2H3/t20-;3*18-/m0000/s1.
What are the key properties of (5-chloro-2-methylphenyl)-[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethyl]phenoxy]-1-benzothiophen-2-yl]methanone;(2,5-dimethylphenyl)-[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethyl]phenoxy]-1-benzothiophen-2-yl]methanone;(5-fluoro-2-methylphenyl)-[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethyl]phenoxy]-1-benzothiophen-2-yl]methanone;[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethyl]phenoxy]-1-benzothiophen-2-yl]-[4-(trifluoromethyl)phenyl]methanone?
(5-chloro-2-methylphenyl)-[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethyl]phenoxy]-1-benzothiophen-2-yl]methanone;(2,5-dimethylphenyl)-[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethyl]phenoxy]-1-benzothiophen-2-yl]methanone;(5-fluoro-2-methylphenyl)-[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethyl]phenoxy]-1-benzothiophen-2-yl]methanone;[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethyl]phenoxy]-1-benzothiophen-2-yl]-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 2006.92 g/mol, XLogP of 29.10, 28 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methylphenyl)-[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethyl]phenoxy]-1-benzothiophen-2-yl]methanone;(2,5-dimethylphenyl)-[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethyl]phenoxy]-1-benzothiophen-2-yl]methanone;(5-fluoro-2-methylphenyl)-[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethyl]phenoxy]-1-benzothiophen-2-yl]methanone;[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethyl]phenoxy]-1-benzothiophen-2-yl]-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 158157138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).