6-chloro-4-oxo-N-{2-(piperidin-1-yl)-2-[4-(propan-2-yl)phenyl]ethyl}-4H-1-benzopyran-2-carboxamide
Chemical Structure Depiction of
6-chloro-4-oxo-N-{2-(piperidin-1-yl)-2-[4-(propan-2-yl)phenyl]ethyl}-4H-1-benzopyran-2-carboxamide
6-chloro-4-oxo-N-{2-(piperidin-1-yl)-2-[4-(propan-2-yl)phenyl]ethyl}-4H-1-benzopyran-2-carboxamide
Compound characteristics
| Compound ID: | D491-2255 |
| Compound Name: | 6-chloro-4-oxo-N-{2-(piperidin-1-yl)-2-[4-(propan-2-yl)phenyl]ethyl}-4H-1-benzopyran-2-carboxamide |
| Molecular Weight: | 452.98 |
| Molecular Formula: | C26 H29 Cl N2 O3 |
| Smiles: | [H]N(CC(c1ccc(cc1)C(C)C)N1CCCCC1)C(C1=CC(c2cc(ccc2O1)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5828 |
| logD: | 4.6277 |
| logSw: | -5.9726 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.459 |
| InChI Key: | XMANRUSWBXDBRO-QFIPXVFZSA-N |