1-(3-chloro-4-fluorophenyl)-5-oxo-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}pyrrolidine-3-carboxamide
Chemical Structure Depiction of
1-(3-chloro-4-fluorophenyl)-5-oxo-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}pyrrolidine-3-carboxamide
1-(3-chloro-4-fluorophenyl)-5-oxo-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}pyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | Y042-3580 |
| Compound Name: | 1-(3-chloro-4-fluorophenyl)-5-oxo-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}pyrrolidine-3-carboxamide |
| Molecular Weight: | 413.84 |
| Molecular Formula: | C20 H17 Cl F N5 O2 |
| Smiles: | C1C(CN(C1=O)c1ccc(c(c1)[Cl])F)C(Nc1ccc(Cn2cncn2)cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6731 |
| logD: | 1.673 |
| logSw: | -2.8255 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.056 |
| InChI Key: | LTCOTZPQHOFQQF-CQSZACIVSA-N |