N~1~-[4-(8-ethoxy-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-ethoxy-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]-N~4~-[2-(4-methylphenyl)ethyl]butanediamide
N~1~-[4-(8-ethoxy-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]-N~4~-[2-(4-methylphenyl)ethyl]butanediamide
Compound characteristics
| Compound ID: | K232-1887 |
| Compound Name: | N~1~-[4-(8-ethoxy-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]-N~4~-[2-(4-methylphenyl)ethyl]butanediamide |
| Molecular Weight: | 505.59 |
| Molecular Formula: | C27 H27 N3 O5 S |
| Smiles: | CCOc1cccc2C=C(C(=O)Oc12)c1csc(NC(CCC(NCCc2ccc(C)cc2)=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.6373 |
| logD: | 3.6262 |
| logSw: | -3.9621 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.02 |
| InChI Key: | NXMVSQLZKFDGOU-UHFFFAOYSA-N |