N-(5-chloro-2,4-dimethoxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide
Chemical Structure Depiction of
N-(5-chloro-2,4-dimethoxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide
N-(5-chloro-2,4-dimethoxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide
Compound characteristics
| Compound ID: | E213-1241 |
| Compound Name: | N-(5-chloro-2,4-dimethoxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide |
| Molecular Weight: | 377.84 |
| Molecular Formula: | C18 H16 Cl N O4 S |
| Smiles: | COc1cc(c(cc1NC(c1cccc2C(CCSc12)=O)=O)[Cl])OC |
| Stereo: | ACHIRAL |
| logP: | 3.5279 |
| logD: | 3.151 |
| logSw: | -3.9364 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.061 |
| InChI Key: | ZTZKRNFLJKDTFI-UHFFFAOYSA-N |