N~1~-(1-benzylpiperidin-4-yl)-N~4~-[4-(6-chloro-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]butanediamide
Chemical Structure Depiction of
N~1~-(1-benzylpiperidin-4-yl)-N~4~-[4-(6-chloro-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]butanediamide
N~1~-(1-benzylpiperidin-4-yl)-N~4~-[4-(6-chloro-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]butanediamide
Compound characteristics
| Compound ID: | K232-1859 |
| Compound Name: | N~1~-(1-benzylpiperidin-4-yl)-N~4~-[4-(6-chloro-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]butanediamide |
| Molecular Weight: | 551.06 |
| Molecular Formula: | C28 H27 Cl N4 O4 S |
| Smiles: | C1CN(CCC1NC(CCC(Nc1nc(cs1)C1=Cc2cc(ccc2OC1=O)[Cl])=O)=O)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.8329 |
| logD: | 2.2752 |
| logSw: | -4.5681 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.55 |
| InChI Key: | FCXWHFABEBCODL-UHFFFAOYSA-N |