N-(3-chloro-4-methylphenyl)-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide
Chemical Structure Depiction of
N-(3-chloro-4-methylphenyl)-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide
N-(3-chloro-4-methylphenyl)-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide
Compound characteristics
| Compound ID: | G777-0366 |
| Compound Name: | N-(3-chloro-4-methylphenyl)-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide |
| Molecular Weight: | 331.82 |
| Molecular Formula: | C17 H14 Cl N O2 S |
| Smiles: | Cc1ccc(cc1[Cl])NC(c1cccc2C(CCSc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.421 |
| logD: | 4.4078 |
| logSw: | -4.5811 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.498 |
| InChI Key: | GYKXKJXJCCFNGA-UHFFFAOYSA-N |