N~1~-[4-(8-methoxy-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]-N~4~-[2-(4-methylphenyl)ethyl]butanediamide
Chemical Structure Depiction of
N~1~-[4-(8-methoxy-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]-N~4~-[2-(4-methylphenyl)ethyl]butanediamide
N~1~-[4-(8-methoxy-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]-N~4~-[2-(4-methylphenyl)ethyl]butanediamide
Compound characteristics
| Compound ID: | K232-1831 |
| Compound Name: | N~1~-[4-(8-methoxy-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]-N~4~-[2-(4-methylphenyl)ethyl]butanediamide |
| Molecular Weight: | 491.57 |
| Molecular Formula: | C26 H25 N3 O5 S |
| Smiles: | Cc1ccc(CCNC(CCC(Nc2nc(cs2)C2=Cc3cccc(c3OC2=O)OC)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.1198 |
| logD: | 3.1088 |
| logSw: | -3.5549 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.44 |
| InChI Key: | QRLZBYTZFGYSFX-UHFFFAOYSA-N |