N-[(2,5-dimethoxyphenyl)methyl]-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide
Chemical Structure Depiction of
N-[(2,5-dimethoxyphenyl)methyl]-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide
N-[(2,5-dimethoxyphenyl)methyl]-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide
Compound characteristics
| Compound ID: | G777-0185 |
| Compound Name: | N-[(2,5-dimethoxyphenyl)methyl]-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide |
| Molecular Weight: | 357.43 |
| Molecular Formula: | C19 H19 N O4 S |
| Smiles: | COc1ccc(c(CNC(c2cccc3C(CCSc23)=O)=O)c1)OC |
| Stereo: | ACHIRAL |
| logP: | 3.1946 |
| logD: | 3.1946 |
| logSw: | -3.6612 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.994 |
| InChI Key: | PMHXBRPIFPQIMY-UHFFFAOYSA-N |