1-(3-chloro-4-methoxyphenyl)-5-oxo-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}pyrrolidine-3-carboxamide
Chemical Structure Depiction of
1-(3-chloro-4-methoxyphenyl)-5-oxo-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}pyrrolidine-3-carboxamide
1-(3-chloro-4-methoxyphenyl)-5-oxo-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}pyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | Y042-3190 |
| Compound Name: | 1-(3-chloro-4-methoxyphenyl)-5-oxo-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}pyrrolidine-3-carboxamide |
| Molecular Weight: | 425.87 |
| Molecular Formula: | C21 H20 Cl N5 O3 |
| Smiles: | COc1ccc(cc1[Cl])N1CC(CC1=O)C(Nc1ccc(Cn2cncn2)cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.4535 |
| logD: | 1.4535 |
| logSw: | -2.6853 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.687 |
| InChI Key: | QXHSNYYRCUJZQL-OAHLLOKOSA-N |