2,5-difluoro-N-[rel-(3R,4S)-1-methyl-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide
Chemical Structure Depiction of
2,5-difluoro-N-[rel-(3R,4S)-1-methyl-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide
2,5-difluoro-N-[rel-(3R,4S)-1-methyl-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide
Compound characteristics
| Compound ID: | SB33-0924 |
| Compound Name: | 2,5-difluoro-N-[rel-(3R,4S)-1-methyl-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide |
| Molecular Weight: | 383.4 |
| Molecular Formula: | C20 H19 F2 N5 O |
| Smiles: | CN1C[C@H]([C@@H](C1)c1nc(c2ccccc2)n[nH]1)NC(c1cc(ccc1F)F)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.1287 |
| logD: | 1.8467 |
| logSw: | -3.4592 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.99 |
| InChI Key: | LNXMRBZAXATPPN-RDJZCZTQSA-N |