(5-chloro-2-methylphenyl)-[3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydroxy-1-benzothiophen-2-yl]methanone;(4-chlorophenyl)-[3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydroxy-1-benzothiophen-2-yl]methanone;(2,4-dimethylphenyl)-[3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydroxy-1-benzothiophen-2-yl]methanone;[3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydroxy-1-benzothiophen-2-yl]-(5-fluoro-2-methylphenyl)methanone;[3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydroxy-1-benzothiophen-2-yl]-[2-(trifluoromethyl)phenyl]methanone;[3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydroxy-1-benzothiophen-2-yl]-[4-(trifluoromethyl)phenyl]methanone

C168H147Cl2F13N6O18S6 — CID 158479242

IUPAC(5-chloro-2-methylphenyl)-[3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydroxy-1-benzothiophen-2-yl]methanone;(4-chlorophenyl)-[3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydroxy-1-benzothiophen-2-yl]methanone;(2,4-dimethylphenyl)-[3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydroxy-1-benzothiophen-2-yl]methanone;[3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydroxy-1-benzothiophen-2-yl]-(5-fluoro-2-methylphenyl)methanone;[3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydroxy-1-benzothiophen-2-yl]-[2-(trifluoromethyl)phenyl]methanone;[3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydroxy-1-benzothiophen-2-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESCc1ccc(C(=O)c2sc3cc(O)ccc3c2-c2ccc(OCCN3CC(CF)C3)cc2)c(C)c1.Cc1ccc(Cl)cc1C(=O)c1sc2cc(O)ccc2c1-c1ccc(OCCN2CC(CF)C2)cc1.Cc1ccc(F)cc1C(=O)c1sc2cc(O)ccc2c1-c1ccc(OCCN2CC(CF)C2)cc1.O=C(c1ccc(C(F)(F)F)cc1)c1sc2cc(O)ccc2c1-c1ccc(OCCN2CC(CF)C2)cc1.O=C(c1ccc(Cl)cc1)c1sc2cc(O)ccc2c1-c1ccc(OCCN2CC(CF)C2)cc1.O=C(c1ccccc1C(F)(F)F)c1sc2cc(O)ccc2c1-c1ccc(OCCN2CC(CF)C2)cc1
InChIInChI=1S/C29H28FNO3S.C28H25ClFNO3S.2C28H23F4NO3S.C28H25F2NO3S.C27H23ClFNO3S/c1-18-3-9-24(19(2)13-18)28(33)29-27(25-10-6-22(32)14-26(25)35-29)21-4-7-23(8-5-21)34-12-11-31-16-20(15-30)17-31;1-17-2-5-20(29)12-24(17)27(33)28-26(23-9-6-21(32)13-25(23)35-28)19-3-7-22(8-4-19)34-11-10-31-15-18(14-30)16-31;29-14-17-15-33(16-17)11-12-36-22-8-3-18(4-9-22)25-23-10-7-21(34)13-24(23)37-27(25)26(35)19-1-5-20(6-2-19)28(30,31)32;29-14-17-15-33(16-17)11-12-36-20-8-5-18(6-9-20)25-22-10-7-19(34)13-24(22)37-27(25)26(35)21-3-1-2-4-23(21)28(30,31)32;1-17-2-5-20(30)12-24(17)27(33)28-26(23-9-6-21(32)13-25(23)35-28)19-3-7-22(8-4-19)34-11-10-31-15-18(14-29)16-31;28-20-5-1-19(2-6-20)26(32)27-25(23-10-7-21(31)13-24(23)34-27)18-3-8-22(9-4-18)33-12-11-30-15-17(14-29)16-30/h3-10,13-14,20,32H,11-12,15-17H2,1-2H3;2-9,12-13,18,32H,10-11,14-16H2,1H3;2*1-10,13,17,34H,11-12,14-16H2;2-9,12-13,18,32H,10-11,14-16H2,1H3;1-10,13,17,31H,11-12,14-16H2
InChIKeyHHHVQQSCBJXPNU-UHFFFAOYSA-N
MW3048.33 g/mol
LogP39.43
Rot. Bonds48

About (5-chloro-2-methylphenyl)-[3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydroxy-1-benzothiophen-2-yl]methanone;(4-chlorophenyl)-[3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydroxy-1-benzothiophen-2-yl]methanone;(2,4-dimethylphenyl)-[3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydroxy-1-benzothiophen-2-yl]methanone;[3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydroxy-1-benzothiophen-2-yl]-(5-fluoro-2-methylphenyl)methanone;[3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydroxy-1-benzothiophen-2-yl]-[2-(trifluoromethyl)phenyl]methanone;[3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydroxy-1-benzothiophen-2-yl]-[4-(trifluoromethyl)phenyl]methanone

(5-chloro-2-methylphenyl)-[3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydroxy-1-benzothiophen-2-yl]methanone;(4-chlorophenyl)-[3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydroxy-1-benzothiophen-2-yl]methanone;(2,4-dimethylphenyl)-[3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydroxy-1-benzothiophen-2-yl]methanone;[3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydroxy-1-benzothiophen-2-yl]-(5-fluoro-2-methylphenyl)methanone;[3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydroxy-1-benzothiophen-2-yl]-[2-(trifluoromethyl)phenyl]methanone;[3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydroxy-1-benzothiophen-2-yl]-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 158479242) has the molecular formula C168H147Cl2F13N6O18S6 and a molecular weight of 3048.33 g/mol. Its IUPAC name is (5-chloro-2-methylphenyl)-[3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydroxy-1-benzothiophen-2-yl]methanone;(4-chlorophenyl)-[3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydroxy-1-benzothiophen-2-yl]methanone;(2,4-dimethylphenyl)-[3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydroxy-1-benzothiophen-2-yl]methanone;[3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydroxy-1-benzothiophen-2-yl]-(5-fluoro-2-methylphenyl)methanone;[3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydroxy-1-benzothiophen-2-yl]-[2-(trifluoromethyl)phenyl]methanone;[3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydroxy-1-benzothiophen-2-yl]-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(5-chloro-2-methylphenyl)-[3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydroxy-1-benzothiophen-2-yl]methanone;(4-chlorophenyl)-[3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydroxy-1-benzothiophen-2-yl]methanone;(2,4-dimethylphenyl)-[3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydroxy-1-benzothiophen-2-yl]methanone;[3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydroxy-1-benzothiophen-2-yl]-(5-fluoro-2-methylphenyl)methanone;[3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydroxy-1-benzothiophen-2-yl]-[2-(trifluoromethyl)phenyl]methanone;[3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydroxy-1-benzothiophen-2-yl]-[4-(trifluoromethyl)phenyl]methanone
PubChem CID158479242
Molecular FormulaC168H147Cl2F13N6O18S6
Molecular Weight3048.33 g/mol
Exact Mass3044.83
IUPAC Name(5-chloro-2-methylphenyl)-[3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydroxy-1-benzothiophen-2-yl]methanone;(4-chlorophenyl)-[3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydroxy-1-benzothiophen-2-yl]methanone;(2,4-dimethylphenyl)-[3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydroxy-1-benzothiophen-2-yl]methanone;[3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydroxy-1-benzothiophen-2-yl]-(5-fluoro-2-methylphenyl)methanone;[3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydroxy-1-benzothiophen-2-yl]-[2-(trifluoromethyl)phenyl]methanone;[3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydroxy-1-benzothiophen-2-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESCc1ccc(C(=O)c2sc3cc(O)ccc3c2-c2ccc(OCCN3CC(CF)C3)cc2)c(C)c1.Cc1ccc(Cl)cc1C(=O)c1sc2cc(O)ccc2c1-c1ccc(OCCN2CC(CF)C2)cc1.Cc1ccc(F)cc1C(=O)c1sc2cc(O)ccc2c1-c1ccc(OCCN2CC(CF)C2)cc1.O=C(c1ccc(C(F)(F)F)cc1)c1sc2cc(O)ccc2c1-c1ccc(OCCN2CC(CF)C2)cc1.O=C(c1ccc(Cl)cc1)c1sc2cc(O)ccc2c1-c1ccc(OCCN2CC(CF)C2)cc1.O=C(c1ccccc1C(F)(F)F)c1sc2cc(O)ccc2c1-c1ccc(OCCN2CC(CF)C2)cc1
InChIInChI=1S/C29H28FNO3S.C28H25ClFNO3S.2C28H23F4NO3S.C28H25F2NO3S.C27H23ClFNO3S/c1-18-3-9-24(19(2)13-18)28(33)29-27(25-10-6-22(32)14-26(25)35-29)21-4-7-23(8-5-21)34-12-11-31-16-20(15-30)17-31;1-17-2-5-20(29)12-24(17)27(33)28-26(23-9-6-21(32)13-25(23)35-28)19-3-7-22(8-4-19)34-11-10-31-15-18(14-30)16-31;29-14-17-15-33(16-17)11-12-36-22-8-3-18(4-9-22)25-23-10-7-21(34)13-24(23)37-27(25)26(35)19-1-5-20(6-2-19)28(30,31)32;29-14-17-15-33(16-17)11-12-36-20-8-5-18(6-9-20)25-22-10-7-19(34)13-24(22)37-27(25)26(35)21-3-1-2-4-23(21)28(30,31)32;1-17-2-5-20(30)12-24(17)27(33)28-26(23-9-6-21(32)13-25(23)35-28)19-3-7-22(8-4-19)34-11-10-31-15-18(14-29)16-31;28-20-5-1-19(2-6-20)26(32)27-25(23-10-7-21(31)13-24(23)34-27)18-3-8-22(9-4-18)33-12-11-30-15-17(14-29)16-30/h3-10,13-14,20,32H,11-12,15-17H2,1-2H3;2-9,12-13,18,32H,10-11,14-16H2,1H3;2*1-10,13,17,34H,11-12,14-16H2;2-9,12-13,18,32H,10-11,14-16H2,1H3;1-10,13,17,31H,11-12,14-16H2
InChIKeyHHHVQQSCBJXPNU-UHFFFAOYSA-N
XLogP39.43
TPSA298.62 Ų
H-Bond Donors6
H-Bond Acceptors30
Rotatable Bonds48
Heavy Atoms213
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003048.33
LogP ≤ 539.43
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1030

Analyze (5-chloro-2-methylphenyl)-[3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydroxy-1-benzothiophen-2-yl]methanone;(4-chlorophenyl)-[3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydroxy-1-benzothiophen-2-yl]methanone;(2,4-dimethylphenyl)-[3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydroxy-1-benzothiophen-2-yl]methanone;[3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydroxy-1-benzothiophen-2-yl]-(5-fluoro-2-methylphenyl)methanone;[3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydroxy-1-benzothiophen-2-yl]-[2-(trifluoromethyl)phenyl]methanone;[3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydroxy-1-benzothiophen-2-yl]-[4-(trifluoromethyl)phenyl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methylphenyl)-[3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydroxy-1-benzothiophen-2-yl]methanone;(4-chlorophenyl)-[3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydroxy-1-benzothiophen-2-yl]methanone;(2,4-dimethylphenyl)-[3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydroxy-1-benzothiophen-2-yl]methanone;[3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydroxy-1-benzothiophen-2-yl]-(5-fluoro-2-methylphenyl)methanone;[3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydroxy-1-benzothiophen-2-yl]-[2-(trifluoromethyl)phenyl]methanone;[3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydroxy-1-benzothiophen-2-yl]-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (5-chloro-2-methylphenyl)-[3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydroxy-1-benzothiophen-2-yl]methanone;(4-chlorophenyl)-[3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydroxy-1-benzothiophen-2-yl]methanone;(2,4-dimethylphenyl)-[3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydroxy-1-benzothiophen-2-yl]methanone;[3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydroxy-1-benzothiophen-2-yl]-(5-fluoro-2-methylphenyl)methanone;[3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydroxy-1-benzothiophen-2-yl]-[2-(trifluoromethyl)phenyl]methanone;[3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydroxy-1-benzothiophen-2-yl]-[4-(trifluoromethyl)phenyl]methanone (CID 158479242) is (5-chloro-2-methylphenyl)-[3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydroxy-1-benzothiophen-2-yl]methanone;(4-chlorophenyl)-[3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydroxy-1-benzothiophen-2-yl]methanone;(2,4-dimethylphenyl)-[3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydroxy-1-benzothiophen-2-yl]methanone;[3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydroxy-1-benzothiophen-2-yl]-(5-fluoro-2-methylphenyl)methanone;[3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydroxy-1-benzothiophen-2-yl]-[2-(trifluoromethyl)phenyl]methanone;[3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydroxy-1-benzothiophen-2-yl]-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (5-chloro-2-methylphenyl)-[3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydroxy-1-benzothiophen-2-yl]methanone;(4-chlorophenyl)-[3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydroxy-1-benzothiophen-2-yl]methanone;(2,4-dimethylphenyl)-[3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydroxy-1-benzothiophen-2-yl]methanone;[3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydroxy-1-benzothiophen-2-yl]-(5-fluoro-2-methylphenyl)methanone;[3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydroxy-1-benzothiophen-2-yl]-[2-(trifluoromethyl)phenyl]methanone;[3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydroxy-1-benzothiophen-2-yl]-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (5-chloro-2-methylphenyl)-[3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydroxy-1-benzothiophen-2-yl]methanone;(4-chlorophenyl)-[3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydroxy-1-benzothiophen-2-yl]methanone;(2,4-dimethylphenyl)-[3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydroxy-1-benzothiophen-2-yl]methanone;[3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydroxy-1-benzothiophen-2-yl]-(5-fluoro-2-methylphenyl)methanone;[3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydroxy-1-benzothiophen-2-yl]-[2-(trifluoromethyl)phenyl]methanone;[3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydroxy-1-benzothiophen-2-yl]-[4-(trifluoromethyl)phenyl]methanone is Cc1ccc(C(=O)c2sc3cc(O)ccc3c2-c2ccc(OCCN3CC(CF)C3)cc2)c(C)c1.Cc1ccc(Cl)cc1C(=O)c1sc2cc(O)ccc2c1-c1ccc(OCCN2CC(CF)C2)cc1.Cc1ccc(F)cc1C(=O)c1sc2cc(O)ccc2c1-c1ccc(OCCN2CC(CF)C2)cc1.O=C(c1ccc(C(F)(F)F)cc1)c1sc2cc(O)ccc2c1-c1ccc(OCCN2CC(CF)C2)cc1.O=C(c1ccc(Cl)cc1)c1sc2cc(O)ccc2c1-c1ccc(OCCN2CC(CF)C2)cc1.O=C(c1ccccc1C(F)(F)F)c1sc2cc(O)ccc2c1-c1ccc(OCCN2CC(CF)C2)cc1.
What is the InChIKey of (5-chloro-2-methylphenyl)-[3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydroxy-1-benzothiophen-2-yl]methanone;(4-chlorophenyl)-[3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydroxy-1-benzothiophen-2-yl]methanone;(2,4-dimethylphenyl)-[3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydroxy-1-benzothiophen-2-yl]methanone;[3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydroxy-1-benzothiophen-2-yl]-(5-fluoro-2-methylphenyl)methanone;[3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydroxy-1-benzothiophen-2-yl]-[2-(trifluoromethyl)phenyl]methanone;[3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydroxy-1-benzothiophen-2-yl]-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is HHHVQQSCBJXPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28FNO3S.C28H25ClFNO3S.2C28H23F4NO3S.C28H25F2NO3S.C27H23ClFNO3S/c1-18-3-9-24(19(2)13-18)28(33)29-27(25-10-6-22(32)14-26(25)35-29)21-4-7-23(8-5-21)34-12-11-31-16-20(15-30)17-31;1-17-2-5-20(29)12-24(17)27(33)28-26(23-9-6-21(32)13-25(23)35-28)19-3-7-22(8-4-19)34-11-10-31-15-18(14-30)16-31;29-14-17-15-33(16-17)11-12-36-22-8-3-18(4-9-22)25-23-10-7-21(34)13-24(23)37-27(25)26(35)19-1-5-20(6-2-19)28(30,31)32;29-14-17-15-33(16-17)11-12-36-20-8-5-18(6-9-20)25-22-10-7-19(34)13-24(22)37-27(25)26(35)21-3-1-2-4-23(21)28(30,31)32;1-17-2-5-20(30)12-24(17)27(33)28-26(23-9-6-21(32)13-25(23)35-28)19-3-7-22(8-4-19)34-11-10-31-15-18(14-29)16-31;28-20-5-1-19(2-6-20)26(32)27-25(23-10-7-21(31)13-24(23)34-27)18-3-8-22(9-4-18)33-12-11-30-15-17(14-29)16-30/h3-10,13-14,20,32H,11-12,15-17H2,1-2H3;2-9,12-13,18,32H,10-11,14-16H2,1H3;2*1-10,13,17,34H,11-12,14-16H2;2-9,12-13,18,32H,10-11,14-16H2,1H3;1-10,13,17,31H,11-12,14-16H2.
What are the key properties of (5-chloro-2-methylphenyl)-[3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydroxy-1-benzothiophen-2-yl]methanone;(4-chlorophenyl)-[3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydroxy-1-benzothiophen-2-yl]methanone;(2,4-dimethylphenyl)-[3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydroxy-1-benzothiophen-2-yl]methanone;[3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydroxy-1-benzothiophen-2-yl]-(5-fluoro-2-methylphenyl)methanone;[3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydroxy-1-benzothiophen-2-yl]-[2-(trifluoromethyl)phenyl]methanone;[3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydroxy-1-benzothiophen-2-yl]-[4-(trifluoromethyl)phenyl]methanone?
(5-chloro-2-methylphenyl)-[3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydroxy-1-benzothiophen-2-yl]methanone;(4-chlorophenyl)-[3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydroxy-1-benzothiophen-2-yl]methanone;(2,4-dimethylphenyl)-[3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydroxy-1-benzothiophen-2-yl]methanone;[3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydroxy-1-benzothiophen-2-yl]-(5-fluoro-2-methylphenyl)methanone;[3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydroxy-1-benzothiophen-2-yl]-[2-(trifluoromethyl)phenyl]methanone;[3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydroxy-1-benzothiophen-2-yl]-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 3048.33 g/mol, XLogP of 39.43, 48 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methylphenyl)-[3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydroxy-1-benzothiophen-2-yl]methanone;(4-chlorophenyl)-[3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydroxy-1-benzothiophen-2-yl]methanone;(2,4-dimethylphenyl)-[3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydroxy-1-benzothiophen-2-yl]methanone;[3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydroxy-1-benzothiophen-2-yl]-(5-fluoro-2-methylphenyl)methanone;[3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydroxy-1-benzothiophen-2-yl]-[2-(trifluoromethyl)phenyl]methanone;[3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydroxy-1-benzothiophen-2-yl]-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 158479242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).