6-chloro-7-methyl-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-chloro-7-methyl-4-oxo-N-{2-(piperidin-1-yl)-2-[4-(propan-2-yl)phenyl]ethyl}-4H-1-benzopyran-2-carboxamide--hydrogen chloride (1/1)
6-chloro-7-methyl-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: | D491-2900 |
| Compound Name: | 6-chloro-7-methyl-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: | 503.47 |
| Molecular Formula: | C27 H31 Cl N2 O3 |
| Salt: | HCl |
| Smiles: | [H]N(CC(c1ccc(cc1)C(C)C)N1CCCCC1)C(C1=CC(c2cc(c(C)cc2O1)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.6073 |
| logD: | 5.6522 |
| logSw: | -6.2844 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.459 |
| InChI Key: | PIBXSHJKPDRTQB-QHCPKHFHSA-N |