N-(2,5-dimethylphenyl)-1-oxo-1H-2-benzothiopyran-3-carboxamide
Chemical Structure Depiction of
N-(2,5-dimethylphenyl)-1-oxo-1H-2-benzothiopyran-3-carboxamide
N-(2,5-dimethylphenyl)-1-oxo-1H-2-benzothiopyran-3-carboxamide
Compound characteristics
| Compound ID: | D443-2389 |
| Compound Name: | N-(2,5-dimethylphenyl)-1-oxo-1H-2-benzothiopyran-3-carboxamide |
| Molecular Weight: | 309.38 |
| Molecular Formula: | C18 H15 N O2 S |
| Smiles: | Cc1ccc(C)c(c1)NC(C1=Cc2ccccc2C(=O)S1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8463 |
| logD: | 3.8463 |
| logSw: | -3.9189 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 35.625 |
| InChI Key: | BUJUKDIYISYZMM-UHFFFAOYSA-N |