N-[2-(4-tert-butylphenyl)-2-(pyrrolidin-1-yl)ethyl]-2-oxo-2H-1-benzopyran-3-carboxamide
Chemical Structure Depiction of
N-[2-(4-tert-butylphenyl)-2-(pyrrolidin-1-yl)ethyl]-2-oxo-2H-1-benzopyran-3-carboxamide
N-[2-(4-tert-butylphenyl)-2-(pyrrolidin-1-yl)ethyl]-2-oxo-2H-1-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | D491-1278 |
| Compound Name: | N-[2-(4-tert-butylphenyl)-2-(pyrrolidin-1-yl)ethyl]-2-oxo-2H-1-benzopyran-3-carboxamide |
| Molecular Weight: | 418.54 |
| Molecular Formula: | C26 H30 N2 O3 |
| Smiles: | [H]N(CC(c1ccc(cc1)C(C)(C)C)N1CCCC1)C(C1=Cc2ccccc2OC1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5115 |
| logD: | 2.7464 |
| logSw: | -4.291 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.929 |
| InChI Key: | FFVSTIWPBQSPFY-QFIPXVFZSA-N |