N-[(4-methoxyphenyl)methyl]-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide
Chemical Structure Depiction of
N-[(4-methoxyphenyl)methyl]-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide
N-[(4-methoxyphenyl)methyl]-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide
Compound characteristics
| Compound ID: | G777-0140 |
| Compound Name: | N-[(4-methoxyphenyl)methyl]-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide |
| Molecular Weight: | 327.4 |
| Molecular Formula: | C18 H17 N O3 S |
| Smiles: | COc1ccc(CNC(c2cccc3C(CCSc23)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.9769 |
| logD: | 2.9769 |
| logSw: | -3.6437 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.364 |
| InChI Key: | UBUMMJSBVGMNBN-UHFFFAOYSA-N |