N-(4-chlorophenyl)-7,8-dimethoxy-1-oxo-1H-2-benzothiopyran-3-carboxamide
Chemical Structure Depiction of
N-(4-chlorophenyl)-7,8-dimethoxy-1-oxo-1H-2-benzothiopyran-3-carboxamide
N-(4-chlorophenyl)-7,8-dimethoxy-1-oxo-1H-2-benzothiopyran-3-carboxamide
Compound characteristics
| Compound ID: | 6427-1097 |
| Compound Name: | N-(4-chlorophenyl)-7,8-dimethoxy-1-oxo-1H-2-benzothiopyran-3-carboxamide |
| Molecular Weight: | 375.83 |
| Molecular Formula: | C18 H14 Cl N O4 S |
| Smiles: | COc1ccc2C=C(C(Nc3ccc(cc3)[Cl])=O)SC(c2c1OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1317 |
| logD: | 4.1311 |
| logSw: | -4.8859 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.67 |
| InChI Key: | PKQUUPBTVBVULJ-UHFFFAOYSA-N |