N-[2-(2-chlorophenyl)-2-(pyrrolidin-1-yl)ethyl]-6-methyl-4-oxo-4H-1-benzopyran-2-carboxamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-[2-(2-chlorophenyl)-2-(pyrrolidin-1-yl)ethyl]-6-methyl-4-oxo-4H-1-benzopyran-2-carboxamide--hydrogen chloride (1/1)
N-[2-(2-chlorophenyl)-2-(pyrrolidin-1-yl)ethyl]-6-methyl-4-oxo-4H-1-benzopyran-2-carboxamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D491-2088 |
| Compound Name: | N-[2-(2-chlorophenyl)-2-(pyrrolidin-1-yl)ethyl]-6-methyl-4-oxo-4H-1-benzopyran-2-carboxamide--hydrogen chloride (1/1) |
| Molecular Weight: | 447.36 |
| Molecular Formula: | C23 H23 Cl N2 O3 |
| Salt: | HCl |
| Smiles: | [H]N(CC(c1ccccc1[Cl])N1CCCC1)C(C1=CC(c2cc(C)ccc2O1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1382 |
| logD: | 3.6964 |
| logSw: | -4.4784 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.826 |
| InChI Key: | VIPNNTAMXPZMSY-IBGZPJMESA-N |