7-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-oxo-4H-1-benzopyran-2-carboxamide
Chemical Structure Depiction of
7-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-oxo-4H-1-benzopyran-2-carboxamide
7-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-oxo-4H-1-benzopyran-2-carboxamide
Compound characteristics
| Compound ID: | D103-1135 |
| Compound Name: | 7-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-oxo-4H-1-benzopyran-2-carboxamide |
| Molecular Weight: | 426.49 |
| Molecular Formula: | C25 H18 N2 O3 S |
| Smiles: | [H]N(C(C1=CC(c2ccc(C)cc2O1)=O)=O)c1ccc(cc1)c1nc2ccc(C)cc2s1 |
| Stereo: | ACHIRAL |
| logP: | 6.1333 |
| logD: | 6.1332 |
| logSw: | -5.4715 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.597 |
| InChI Key: | XKKXQUZUDOVSIY-UHFFFAOYSA-N |