7-tert-butyl-4-[4-(trifluoromethyl)phenyl]-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-b]pyridin-2(1H)-one
Chemical Structure Depiction of
7-tert-butyl-4-[4-(trifluoromethyl)phenyl]-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-b]pyridin-2(1H)-one
7-tert-butyl-4-[4-(trifluoromethyl)phenyl]-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-b]pyridin-2(1H)-one
Compound characteristics
| Compound ID: | 8019-7988 |
| Compound Name: | 7-tert-butyl-4-[4-(trifluoromethyl)phenyl]-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-b]pyridin-2(1H)-one |
| Molecular Weight: | 407.5 |
| Molecular Formula: | C22 H24 F3 N O S |
| Smiles: | CC(C)(C)C1CCc2c3C(CC(Nc3sc2C1)=O)c1ccc(cc1)C(F)(F)F |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.3625 |
| logD: | 6.3573 |
| logSw: | -5.5894 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 24.6106 |
| InChI Key: | CKEPWPSNVBJLET-UHFFFAOYSA-N |