6,8-dimethyl-4-oxo-N-{2-(piperidin-1-yl)-2-[4-(propan-2-yl)phenyl]ethyl}-4H-1-benzopyran-2-carboxamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
6,8-dimethyl-4-oxo-N-{2-(piperidin-1-yl)-2-[4-(propan-2-yl)phenyl]ethyl}-4H-1-benzopyran-2-carboxamide--hydrogen chloride (1/1)
6,8-dimethyl-4-oxo-N-{2-(piperidin-1-yl)-2-[4-(propan-2-yl)phenyl]ethyl}-4H-1-benzopyran-2-carboxamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D491-2605 |
| Compound Name: | 6,8-dimethyl-4-oxo-N-{2-(piperidin-1-yl)-2-[4-(propan-2-yl)phenyl]ethyl}-4H-1-benzopyran-2-carboxamide--hydrogen chloride (1/1) |
| Molecular Weight: | 483.05 |
| Molecular Formula: | C28 H34 N2 O3 |
| Salt: | HCl |
| Smiles: | [H]N(CC(c1ccc(cc1)C(C)C)N1CCCCC1)C(C1=CC(c2cc(C)cc(C)c2O1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7932 |
| logD: | 4.8381 |
| logSw: | -5.3913 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.144 |
| InChI Key: | BDDFEYMEIMOAJB-DEOSSOPVSA-N |