6-chloro-N-[2-(4-ethylphenyl)-2-(pyrrolidin-1-yl)ethyl]-4-oxo-4H-1-benzopyran-2-carboxamide
Chemical Structure Depiction of
6-chloro-N-[2-(4-ethylphenyl)-2-(pyrrolidin-1-yl)ethyl]-4-oxo-4H-1-benzopyran-2-carboxamide
6-chloro-N-[2-(4-ethylphenyl)-2-(pyrrolidin-1-yl)ethyl]-4-oxo-4H-1-benzopyran-2-carboxamide
Compound characteristics
| Compound ID: | D491-2270 |
| Compound Name: | 6-chloro-N-[2-(4-ethylphenyl)-2-(pyrrolidin-1-yl)ethyl]-4-oxo-4H-1-benzopyran-2-carboxamide |
| Molecular Weight: | 461.39 |
| Molecular Formula: | C24 H25 Cl N2 O3 |
| Salt: | HCl |
| Smiles: | [H]N(CC(c1ccc(CC)cc1)N1CCCC1)C(C1=CC(c2cc(ccc2O1)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7327 |
| logD: | 3.3724 |
| logSw: | -4.9127 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.826 |
| InChI Key: | VZPUGZXNGWKZJH-FQEVSTJZSA-N |