N-{2-[4-(methylsulfanyl)phenyl]ethyl}-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide
Chemical Structure Depiction of
N-{2-[4-(methylsulfanyl)phenyl]ethyl}-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide
N-{2-[4-(methylsulfanyl)phenyl]ethyl}-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide
Compound characteristics
| Compound ID: | G777-0273 |
| Compound Name: | N-{2-[4-(methylsulfanyl)phenyl]ethyl}-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide |
| Molecular Weight: | 357.49 |
| Molecular Formula: | C19 H19 N O2 S2 |
| Smiles: | CSc1ccc(CCNC(c2cccc3C(CCSc23)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.6474 |
| logD: | 3.6474 |
| logSw: | -3.9684 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.662 |
| InChI Key: | VEWLKXPJRSWHNF-UHFFFAOYSA-N |