N-(3-chloro-2-methylphenyl)-1-oxo-1H-2-benzothiopyran-3-carboxamide
Chemical Structure Depiction of
N-(3-chloro-2-methylphenyl)-1-oxo-1H-2-benzothiopyran-3-carboxamide
N-(3-chloro-2-methylphenyl)-1-oxo-1H-2-benzothiopyran-3-carboxamide
Compound characteristics
| Compound ID: | D443-2483 |
| Compound Name: | N-(3-chloro-2-methylphenyl)-1-oxo-1H-2-benzothiopyran-3-carboxamide |
| Molecular Weight: | 329.8 |
| Molecular Formula: | C17 H12 Cl N O2 S |
| Smiles: | Cc1c(cccc1[Cl])NC(C1=Cc2ccccc2C(=O)S1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6124 |
| logD: | 4.6112 |
| logSw: | -4.6814 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 35.625 |
| InChI Key: | XKJKGXNYYCKYPQ-UHFFFAOYSA-N |