N-[2-(4-tert-butylphenyl)-2-(pyrrolidin-1-yl)ethyl]-7,8-dimethyl-4-oxo-4H-1-benzopyran-2-carboxamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-[2-(4-tert-butylphenyl)-2-(pyrrolidin-1-yl)ethyl]-7,8-dimethyl-4-oxo-4H-1-benzopyran-2-carboxamide--hydrogen chloride (1/1)
N-[2-(4-tert-butylphenyl)-2-(pyrrolidin-1-yl)ethyl]-7,8-dimethyl-4-oxo-4H-1-benzopyran-2-carboxamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D491-2537 |
| Compound Name: | N-[2-(4-tert-butylphenyl)-2-(pyrrolidin-1-yl)ethyl]-7,8-dimethyl-4-oxo-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)C)N1CCCC1)C(C1=CC(c2ccc(C)c(C)c2O1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9009 |
| logD: | 4.5405 |
| logSw: | -5.4807 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.51 |
| InChI Key: | CTIKNICYOVLSOE-QHCPKHFHSA-N |