N~1~-[4-(7-methoxy-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]-N~4~-[(5-methylfuran-2-yl)methyl]butanediamide
Chemical Structure Depiction of
N~1~-[4-(7-methoxy-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]-N~4~-[(5-methylfuran-2-yl)methyl]butanediamide
N~1~-[4-(7-methoxy-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]-N~4~-[(5-methylfuran-2-yl)methyl]butanediamide
Compound characteristics
| Compound ID: | K232-1910 |
| Compound Name: | N~1~-[4-(7-methoxy-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]-N~4~-[(5-methylfuran-2-yl)methyl]butanediamide |
| Molecular Weight: | 467.5 |
| Molecular Formula: | C23 H21 N3 O6 S |
| Smiles: | Cc1ccc(CNC(CCC(Nc2nc(cs2)C2=Cc3ccc(cc3OC2=O)OC)=O)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 3.1343 |
| logD: | 3.1232 |
| logSw: | -3.616 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.091 |
| InChI Key: | JXUYBYPERYEFHE-UHFFFAOYSA-N |