N~1~-[2-(2-chlorophenyl)ethyl]-N~4~-[4-(7-methoxy-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]butanediamide
Chemical Structure Depiction of
N~1~-[2-(2-chlorophenyl)ethyl]-N~4~-[4-(7-methoxy-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]butanediamide
N~1~-[2-(2-chlorophenyl)ethyl]-N~4~-[4-(7-methoxy-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]butanediamide
Compound characteristics
| Compound ID: | K232-1913 |
| Compound Name: | N~1~-[2-(2-chlorophenyl)ethyl]-N~4~-[4-(7-methoxy-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]butanediamide |
| Molecular Weight: | 511.98 |
| Molecular Formula: | C25 H22 Cl N3 O5 S |
| Smiles: | COc1ccc2C=C(C(=O)Oc2c1)c1csc(NC(CCC(NCCc2ccccc2[Cl])=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.6884 |
| logD: | 3.6773 |
| logSw: | -4.2754 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.67 |
| InChI Key: | YCMRVRBAWBWDSK-UHFFFAOYSA-N |