N~1~-[(4-methoxyphenyl)methyl]-N~4~-[4-(2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]butanediamide
Chemical Structure Depiction of
N~1~-[(4-methoxyphenyl)methyl]-N~4~-[4-(2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]butanediamide
N~1~-[(4-methoxyphenyl)methyl]-N~4~-[4-(2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]butanediamide
Compound characteristics
| Compound ID: | K232-1762 |
| Compound Name: | N~1~-[(4-methoxyphenyl)methyl]-N~4~-[4-(2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]butanediamide |
| Molecular Weight: | 463.51 |
| Molecular Formula: | C24 H21 N3 O5 S |
| Smiles: | COc1ccc(CNC(CCC(Nc2nc(cs2)C2=Cc3ccccc3OC2=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.9553 |
| logD: | 2.9442 |
| logSw: | -3.6592 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.828 |
| InChI Key: | JNIIDBWQSGFLJL-UHFFFAOYSA-N |