N-(4-ethylphenyl)-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide
Chemical Structure Depiction of
N-(4-ethylphenyl)-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide
N-(4-ethylphenyl)-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide
Compound characteristics
| Compound ID: | E213-1304 |
| Compound Name: | N-(4-ethylphenyl)-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide |
| Molecular Weight: | 311.4 |
| Molecular Formula: | C18 H17 N O2 S |
| Smiles: | CCc1ccc(cc1)NC(c1cccc2C(CCSc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9615 |
| logD: | 3.9613 |
| logSw: | -4.047 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.498 |
| InChI Key: | JRJCBKUVCDPSDP-UHFFFAOYSA-N |