N-[2-(4-ethylphenyl)-2-(pyrrolidin-1-yl)ethyl]-6,7-dimethyl-4-oxo-4H-1-benzopyran-2-carboxamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-[2-(4-ethylphenyl)-2-(pyrrolidin-1-yl)ethyl]-6,7-dimethyl-4-oxo-4H-1-benzopyran-2-carboxamide--hydrogen chloride (1/1)
N-[2-(4-ethylphenyl)-2-(pyrrolidin-1-yl)ethyl]-6,7-dimethyl-4-oxo-4H-1-benzopyran-2-carboxamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D491-2768 |
| Compound Name: | N-[2-(4-ethylphenyl)-2-(pyrrolidin-1-yl)ethyl]-6,7-dimethyl-4-oxo-4H-1-benzopyran-2-carboxamide--hydrogen chloride (1/1) |
| Molecular Weight: | 455 |
| Molecular Formula: | C26 H30 N2 O3 |
| Salt: | HCl |
| Smiles: | [H]N(CC(c1ccc(CC)cc1)N1CCCC1)C(C1=CC(c2cc(C)c(C)cc2O1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1737 |
| logD: | 3.8134 |
| logSw: | -4.9433 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.826 |
| InChI Key: | FOUMMQPBHORUJO-QFIPXVFZSA-N |