N~1~-[(2-chlorophenyl)methyl]-N~4~-[4-(2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]butanediamide
Chemical Structure Depiction of
N~1~-[(2-chlorophenyl)methyl]-N~4~-[4-(2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]butanediamide
N~1~-[(2-chlorophenyl)methyl]-N~4~-[4-(2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]butanediamide
Compound characteristics
| Compound ID: | K232-1768 |
| Compound Name: | N~1~-[(2-chlorophenyl)methyl]-N~4~-[4-(2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]butanediamide |
| Molecular Weight: | 467.93 |
| Molecular Formula: | C23 H18 Cl N3 O4 S |
| Smiles: | C(CC(Nc1nc(cs1)C1=Cc2ccccc2OC1=O)=O)C(NCc1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.7549 |
| logD: | 3.7439 |
| logSw: | -4.3126 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.284 |
| InChI Key: | ROGJOLHBAFVBKT-UHFFFAOYSA-N |