N-(3,5-dimethylphenyl)-1-oxo-1H-2-benzothiopyran-3-carboxamide
Chemical Structure Depiction of
N-(3,5-dimethylphenyl)-1-oxo-1H-2-benzothiopyran-3-carboxamide
N-(3,5-dimethylphenyl)-1-oxo-1H-2-benzothiopyran-3-carboxamide
Compound characteristics
| Compound ID: | D443-2414 |
| Compound Name: | N-(3,5-dimethylphenyl)-1-oxo-1H-2-benzothiopyran-3-carboxamide |
| Molecular Weight: | 309.38 |
| Molecular Formula: | C18 H15 N O2 S |
| Smiles: | Cc1cc(C)cc(c1)NC(C1=Cc2ccccc2C(=O)S1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2999 |
| logD: | 4.2998 |
| logSw: | -4.3998 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.323 |
| InChI Key: | DOJRFQQYQGLKCI-UHFFFAOYSA-N |