N-[(4-ethylphenyl)methyl]-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide
Chemical Structure Depiction of
N-[(4-ethylphenyl)methyl]-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide
N-[(4-ethylphenyl)methyl]-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide
Compound characteristics
| Compound ID: | G777-0173 |
| Compound Name: | N-[(4-ethylphenyl)methyl]-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide |
| Molecular Weight: | 325.43 |
| Molecular Formula: | C19 H19 N O2 S |
| Smiles: | CCc1ccc(CNC(c2cccc3C(CCSc23)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.9252 |
| logD: | 3.9251 |
| logSw: | -4.0103 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.82 |
| InChI Key: | KQOZOIOKYXXHBY-UHFFFAOYSA-N |