N-{5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl}-1-oxo-1H-2-benzothiopyran-3-carboxamide
Chemical Structure Depiction of
N-{5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl}-1-oxo-1H-2-benzothiopyran-3-carboxamide
N-{5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl}-1-oxo-1H-2-benzothiopyran-3-carboxamide
Compound characteristics
| Compound ID: | D443-2424 |
| Compound Name: | N-{5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl}-1-oxo-1H-2-benzothiopyran-3-carboxamide |
| Molecular Weight: | 412.91 |
| Molecular Formula: | C20 H13 Cl N2 O2 S2 |
| Smiles: | C(c1ccc(cc1)[Cl])c1cnc(NC(C2=Cc3ccccc3C(=O)S2)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.6476 |
| logD: | 5.64 |
| logSw: | -6.0422 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.619 |
| InChI Key: | KIJXGOLMPRXXIB-UHFFFAOYSA-N |