ethyl 6-cyano-6-phenyl-2-{4-[(trifluoromethyl)sulfanyl]benzamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 6-cyano-6-phenyl-2-{4-[(trifluoromethyl)sulfanyl]benzamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 6-cyano-6-phenyl-2-{4-[(trifluoromethyl)sulfanyl]benzamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V010-6778 |
| Compound Name: | ethyl 6-cyano-6-phenyl-2-{4-[(trifluoromethyl)sulfanyl]benzamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 530.59 |
| Molecular Formula: | C26 H21 F3 N2 O3 S2 |
| Smiles: | CCOC(c1c2CCC(Cc2sc1NC(c1ccc(cc1)SC(F)(F)F)=O)(C#N)c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.8518 |
| logD: | 3.3546 |
| logSw: | -5.9246 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.583 |
| InChI Key: | PFOYKQIGTKNPBE-RUZDIDTESA-N |