N-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide
Chemical Structure Depiction of
N-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide
N-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide
Compound characteristics
| Compound ID: | C066-3883 |
| Compound Name: | N-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide |
| Molecular Weight: | 343.4 |
| Molecular Formula: | C18 H17 N O4 S |
| Smiles: | COc1ccc(cc1OC)NC(c1cccc2C(CCSc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5657 |
| logD: | 2.563 |
| logSw: | -3.2095 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.759 |
| InChI Key: | KPLQLNXQJBEVCI-UHFFFAOYSA-N |