About [3-[4-[2-(3-ethylazetidin-1-yl)ethoxy]phenoxy]-6-hydroxy-1-benzothiophen-2-yl]-(3-fluorophenyl)methanone;[3-[4-[2-[(3S)-3-ethylpyrrolidin-1-yl]ethoxy]phenoxy]-6-hydroxy-1-benzothiophen-2-yl]-(4-fluoro-2,6-dimethylphenyl)methanone;[6-hydroxy-3-[4-(2-piperidin-1-ylethoxy)phenoxy]-1-benzothiophen-2-yl]-(2-methylphenyl)methanone
[3-[4-[2-(3-ethylazetidin-1-yl)ethoxy]phenoxy]-6-hydroxy-1-benzothiophen-2-yl]-(3-fluorophenyl)methanone;[3-[4-[2-[(3S)-3-ethylpyrrolidin-1-yl]ethoxy]phenoxy]-6-hydroxy-1-benzothiophen-2-yl]-(4-fluoro-2,6-dimethylphenyl)methanone;[6-hydroxy-3-[4-(2-piperidin-1-ylethoxy)phenoxy]-1-benzothiophen-2-yl]-(2-methylphenyl)methanone (PubChem CID 163902959) has the molecular formula C88H87F2N3O12S3
and a molecular weight of 1512.87 g/mol. Its IUPAC name is [3-[4-[2-(3-ethylazetidin-1-yl)ethoxy]phenoxy]-6-hydroxy-1-benzothiophen-2-yl]-(3-fluorophenyl)methanone;[3-[4-[2-[(3S)-3-ethylpyrrolidin-1-yl]ethoxy]phenoxy]-6-hydroxy-1-benzothiophen-2-yl]-(4-fluoro-2,6-dimethylphenyl)methanone;[6-hydroxy-3-[4-(2-piperidin-1-ylethoxy)phenoxy]-1-benzothiophen-2-yl]-(2-methylphenyl)methanone.
Analyze [3-[4-[2-(3-ethylazetidin-1-yl)ethoxy]phenoxy]-6-hydroxy-1-benzothiophen-2-yl]-(3-fluorophenyl)methanone;[3-[4-[2-[(3S)-3-ethylpyrrolidin-1-yl]ethoxy]phenoxy]-6-hydroxy-1-benzothiophen-2-yl]-(4-fluoro-2,6-dimethylphenyl)methanone;[6-hydroxy-3-[4-(2-piperidin-1-ylethoxy)phenoxy]-1-benzothiophen-2-yl]-(2-methylphenyl)methanone with MolForge
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Frequently Asked Questions
What is the IUPAC name of [3-[4-[2-(3-ethylazetidin-1-yl)ethoxy]phenoxy]-6-hydroxy-1-benzothiophen-2-yl]-(3-fluorophenyl)methanone;[3-[4-[2-[(3S)-3-ethylpyrrolidin-1-yl]ethoxy]phenoxy]-6-hydroxy-1-benzothiophen-2-yl]-(4-fluoro-2,6-dimethylphenyl)methanone;[6-hydroxy-3-[4-(2-piperidin-1-ylethoxy)phenoxy]-1-benzothiophen-2-yl]-(2-methylphenyl)methanone?
The IUPAC name of [3-[4-[2-(3-ethylazetidin-1-yl)ethoxy]phenoxy]-6-hydroxy-1-benzothiophen-2-yl]-(3-fluorophenyl)methanone;[3-[4-[2-[(3S)-3-ethylpyrrolidin-1-yl]ethoxy]phenoxy]-6-hydroxy-1-benzothiophen-2-yl]-(4-fluoro-2,6-dimethylphenyl)methanone;[6-hydroxy-3-[4-(2-piperidin-1-ylethoxy)phenoxy]-1-benzothiophen-2-yl]-(2-methylphenyl)methanone (CID 163902959) is [3-[4-[2-(3-ethylazetidin-1-yl)ethoxy]phenoxy]-6-hydroxy-1-benzothiophen-2-yl]-(3-fluorophenyl)methanone;[3-[4-[2-[(3S)-3-ethylpyrrolidin-1-yl]ethoxy]phenoxy]-6-hydroxy-1-benzothiophen-2-yl]-(4-fluoro-2,6-dimethylphenyl)methanone;[6-hydroxy-3-[4-(2-piperidin-1-ylethoxy)phenoxy]-1-benzothiophen-2-yl]-(2-methylphenyl)methanone.
What is the SMILES notation for [3-[4-[2-(3-ethylazetidin-1-yl)ethoxy]phenoxy]-6-hydroxy-1-benzothiophen-2-yl]-(3-fluorophenyl)methanone;[3-[4-[2-[(3S)-3-ethylpyrrolidin-1-yl]ethoxy]phenoxy]-6-hydroxy-1-benzothiophen-2-yl]-(4-fluoro-2,6-dimethylphenyl)methanone;[6-hydroxy-3-[4-(2-piperidin-1-ylethoxy)phenoxy]-1-benzothiophen-2-yl]-(2-methylphenyl)methanone?
The canonical SMILES for [3-[4-[2-(3-ethylazetidin-1-yl)ethoxy]phenoxy]-6-hydroxy-1-benzothiophen-2-yl]-(3-fluorophenyl)methanone;[3-[4-[2-[(3S)-3-ethylpyrrolidin-1-yl]ethoxy]phenoxy]-6-hydroxy-1-benzothiophen-2-yl]-(4-fluoro-2,6-dimethylphenyl)methanone;[6-hydroxy-3-[4-(2-piperidin-1-ylethoxy)phenoxy]-1-benzothiophen-2-yl]-(2-methylphenyl)methanone is CCC1CN(CCOc2ccc(Oc3c(C(=O)c4cccc(F)c4)sc4cc(O)ccc34)cc2)C1.CC[C@H]1CCN(CCOc2ccc(Oc3c(C(=O)c4c(C)cc(F)cc4C)sc4cc(O)ccc34)cc2)C1.Cc1ccccc1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(OCCN2CCCCC2)cc1.
What is the InChIKey of [3-[4-[2-(3-ethylazetidin-1-yl)ethoxy]phenoxy]-6-hydroxy-1-benzothiophen-2-yl]-(3-fluorophenyl)methanone;[3-[4-[2-[(3S)-3-ethylpyrrolidin-1-yl]ethoxy]phenoxy]-6-hydroxy-1-benzothiophen-2-yl]-(4-fluoro-2,6-dimethylphenyl)methanone;[6-hydroxy-3-[4-(2-piperidin-1-ylethoxy)phenoxy]-1-benzothiophen-2-yl]-(2-methylphenyl)methanone?
The InChIKey is QLMAQIUMEIZDLA-FGJQBABTSA-N. The full InChI is InChI=1S/C31H32FNO4S.C29H29NO4S.C28H26FNO4S/c1-4-21-11-12-33(18-21)13-14-36-24-6-8-25(9-7-24)37-30-26-10-5-23(34)17-27(26)38-31(30)29(35)28-19(2)15-22(32)16-20(28)3;1-20-7-3-4-8-24(20)27(32)29-28(25-14-9-21(31)19-26(25)35-29)34-23-12-10-22(11-13-23)33-18-17-30-15-5-2-6-16-30;1-2-18-16-30(17-18)12-13-33-22-7-9-23(10-8-22)34-27-24-11-6-21(31)15-25(24)35-28(27)26(32)19-4-3-5-20(29)14-19/h5-10,15-17,21,34H,4,11-14,18H2,1-3H3;3-4,7-14,19,31H,2,5-6,15-18H2,1H3;3-11,14-15,18,31H,2,12-13,16-17H2,1H3/t21-;;/m0../s1.
What are the key properties of [3-[4-[2-(3-ethylazetidin-1-yl)ethoxy]phenoxy]-6-hydroxy-1-benzothiophen-2-yl]-(3-fluorophenyl)methanone;[3-[4-[2-[(3S)-3-ethylpyrrolidin-1-yl]ethoxy]phenoxy]-6-hydroxy-1-benzothiophen-2-yl]-(4-fluoro-2,6-dimethylphenyl)methanone;[6-hydroxy-3-[4-(2-piperidin-1-ylethoxy)phenoxy]-1-benzothiophen-2-yl]-(2-methylphenyl)methanone?
[3-[4-[2-(3-ethylazetidin-1-yl)ethoxy]phenoxy]-6-hydroxy-1-benzothiophen-2-yl]-(3-fluorophenyl)methanone;[3-[4-[2-[(3S)-3-ethylpyrrolidin-1-yl]ethoxy]phenoxy]-6-hydroxy-1-benzothiophen-2-yl]-(4-fluoro-2,6-dimethylphenyl)methanone;[6-hydroxy-3-[4-(2-piperidin-1-ylethoxy)phenoxy]-1-benzothiophen-2-yl]-(2-methylphenyl)methanone has a molecular weight of 1512.87 g/mol, XLogP of 20.79, 26 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-[2-(3-ethylazetidin-1-yl)ethoxy]phenoxy]-6-hydroxy-1-benzothiophen-2-yl]-(3-fluorophenyl)methanone;[3-[4-[2-[(3S)-3-ethylpyrrolidin-1-yl]ethoxy]phenoxy]-6-hydroxy-1-benzothiophen-2-yl]-(4-fluoro-2,6-dimethylphenyl)methanone;[6-hydroxy-3-[4-(2-piperidin-1-ylethoxy)phenoxy]-1-benzothiophen-2-yl]-(2-methylphenyl)methanone is sourced from PubChem (CID 163902959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).