N~1~-[(2-chlorophenyl)methyl]-N~4~-[4-(8-methoxy-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-(8-methoxy-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]butanediamide
N~1~-[(2-chlorophenyl)methyl]-N~4~-[4-(8-methoxy-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]butanediamide
Compound characteristics
| Compound ID: | K232-1781 |
| Compound Name: | N~1~-[(2-chlorophenyl)methyl]-N~4~-[4-(8-methoxy-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]butanediamide |
| Molecular Weight: | 497.96 |
| Molecular Formula: | C24 H20 Cl N3 O5 S |
| Smiles: | COc1cccc2C=C(C(=O)Oc12)c1csc(NC(CCC(NCc2ccccc2[Cl])=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.7037 |
| logD: | 3.6927 |
| logSw: | -4.2119 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.599 |
| InChI Key: | OVHKTMAJMAYNLQ-UHFFFAOYSA-N |