N-[2-(4-tert-butylphenyl)-2-(pyrrolidin-1-yl)ethyl]-6-methyl-4-oxo-4H-1-benzopyran-2-carboxamide
Chemical Structure Depiction of
N-[2-(4-tert-butylphenyl)-2-(pyrrolidin-1-yl)ethyl]-6-methyl-4-oxo-4H-1-benzopyran-2-carboxamide
N-[2-(4-tert-butylphenyl)-2-(pyrrolidin-1-yl)ethyl]-6-methyl-4-oxo-4H-1-benzopyran-2-carboxamide
Compound characteristics
| Compound ID: | D491-2113 |
| Compound Name: | N-[2-(4-tert-butylphenyl)-2-(pyrrolidin-1-yl)ethyl]-6-methyl-4-oxo-4H-1-benzopyran-2-carboxamide |
| Molecular Weight: | 432.56 |
| Molecular Formula: | C27 H32 N2 O3 |
| Smiles: | [H]N(CC(c1ccc(cc1)C(C)(C)C)N1CCCC1)C(C1=CC(c2cc(C)ccc2O1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3222 |
| logD: | 3.9619 |
| logSw: | -5.2842 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.826 |
| InChI Key: | SHWGUPJKZUVSAP-QFIPXVFZSA-N |