N-{5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl}-1-oxo-1H-2-benzothiopyran-3-carboxamide
Chemical Structure Depiction of
N-{5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl}-1-oxo-1H-2-benzothiopyran-3-carboxamide
N-{5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl}-1-oxo-1H-2-benzothiopyran-3-carboxamide
Compound characteristics
| Compound ID: | D443-2456 |
| Compound Name: | N-{5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl}-1-oxo-1H-2-benzothiopyran-3-carboxamide |
| Molecular Weight: | 406.52 |
| Molecular Formula: | C22 H18 N2 O2 S2 |
| Smiles: | CCc1ccc(Cc2cnc(NC(C3=Cc4ccccc4C(=O)S3)=O)s2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.9835 |
| logD: | 5.976 |
| logSw: | -5.3943 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.619 |
| InChI Key: | KIPJPKQSANJXOP-UHFFFAOYSA-N |