N-(3,5-dimethylphenyl)-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide
Chemical Structure Depiction of
N-(3,5-dimethylphenyl)-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide
N-(3,5-dimethylphenyl)-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide
Compound characteristics
| Compound ID: | E213-1535 |
| Compound Name: | N-(3,5-dimethylphenyl)-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide |
| Molecular Weight: | 311.4 |
| Molecular Formula: | C18 H17 N O2 S |
| Smiles: | Cc1cc(C)cc(c1)NC(c1cccc2C(CCSc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7238 |
| logD: | 3.7237 |
| logSw: | -4.0074 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.498 |
| InChI Key: | XTQOOJHWFVTUSI-UHFFFAOYSA-N |