1-[(4-chlorophenyl)methyl]-5-oxo-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}pyrrolidine-3-carboxamide
Chemical Structure Depiction of
1-[(4-chlorophenyl)methyl]-5-oxo-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}pyrrolidine-3-carboxamide
1-[(4-chlorophenyl)methyl]-5-oxo-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}pyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | Y042-3362 |
| Compound Name: | 1-[(4-chlorophenyl)methyl]-5-oxo-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}pyrrolidine-3-carboxamide |
| Molecular Weight: | 409.87 |
| Molecular Formula: | C21 H20 Cl N5 O2 |
| Smiles: | C1C(CN(Cc2ccc(cc2)[Cl])C1=O)C(Nc1ccc(Cn2cncn2)cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.3341 |
| logD: | 1.3341 |
| logSw: | -2.5273 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.502 |
| InChI Key: | XQARZXOKMGPTFI-QGZVFWFLSA-N |