N~1~-[4-(8-ethoxy-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]-N~4~-{3-[ethyl(phenyl)amino]propyl}butanediamide
Chemical Structure Depiction of
N~1~-[4-(8-ethoxy-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]-N~4~-{3-[ethyl(phenyl)amino]propyl}butanediamide
N~1~-[4-(8-ethoxy-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]-N~4~-{3-[ethyl(phenyl)amino]propyl}butanediamide
Compound characteristics
| Compound ID: | K232-1904 |
| Compound Name: | N~1~-[4-(8-ethoxy-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]-N~4~-{3-[ethyl(phenyl)amino]propyl}butanediamide |
| Molecular Weight: | 548.66 |
| Molecular Formula: | C29 H32 N4 O5 S |
| Smiles: | CCN(CCCNC(CCC(Nc1nc(cs1)C1=Cc2cccc(c2OC1=O)OCC)=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.9866 |
| logD: | 3.9464 |
| logSw: | -4.0637 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.01 |
| InChI Key: | RMRXGCSSDILLDZ-UHFFFAOYSA-N |