N-[2-(3-methylphenyl)ethyl]-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide
Chemical Structure Depiction of
N-[2-(3-methylphenyl)ethyl]-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide
N-[2-(3-methylphenyl)ethyl]-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide
Compound characteristics
| Compound ID: | E213-1420 |
| Compound Name: | N-[2-(3-methylphenyl)ethyl]-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide |
| Molecular Weight: | 325.43 |
| Molecular Formula: | C19 H19 N O2 S |
| Smiles: | Cc1cccc(CCNC(c2cccc3C(CCSc23)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.5187 |
| logD: | 3.5187 |
| logSw: | -3.8018 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.662 |
| InChI Key: | NJLMTBSUGKQMCJ-UHFFFAOYSA-N |