1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}pyrrolidine-3-carboxamide
Chemical Structure Depiction of
1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}pyrrolidine-3-carboxamide
1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}pyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | Y044-0543 |
| Compound Name: | 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}pyrrolidine-3-carboxamide |
| Molecular Weight: | 449.51 |
| Molecular Formula: | C24 H27 N5 O4 |
| Smiles: | COc1ccc(CCN2CC(CC2=O)C(Nc2ccc(Cn3cncn3)cc2)=O)cc1OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.4627 |
| logD: | 0.4627 |
| logSw: | -1.8877 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.741 |
| InChI Key: | SMQPFCRQYXYDKM-LJQANCHMSA-N |