N-[2-(3,4-diethoxyphenyl)ethyl]-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide
Chemical Structure Depiction of
N-[2-(3,4-diethoxyphenyl)ethyl]-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide
N-[2-(3,4-diethoxyphenyl)ethyl]-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide
Compound characteristics
| Compound ID: | E213-1353 |
| Compound Name: | N-[2-(3,4-diethoxyphenyl)ethyl]-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide |
| Molecular Weight: | 399.51 |
| Molecular Formula: | C22 H25 N O4 S |
| Smiles: | CCOc1ccc(CCNC(c2cccc3C(CCSc23)=O)=O)cc1OCC |
| Stereo: | ACHIRAL |
| logP: | 2.9364 |
| logD: | 2.9364 |
| logSw: | -3.543 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.082 |
| InChI Key: | YVRNIJVKNQLKQH-UHFFFAOYSA-N |