5-bromo-N-[rel-(3R,4S)-1-methyl-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]pyridine-3-carboxamide
Chemical Structure Depiction of
5-bromo-N-[rel-(3R,4S)-1-methyl-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]pyridine-3-carboxamide
5-bromo-N-[rel-(3R,4S)-1-methyl-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]pyridine-3-carboxamide
Compound characteristics
| Compound ID: | SB33-0978 |
| Compound Name: | 5-bromo-N-[rel-(3R,4S)-1-methyl-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]pyridine-3-carboxamide |
| Molecular Weight: | 427.3 |
| Molecular Formula: | C19 H19 Br N6 O |
| Smiles: | CN1C[C@H]([C@@H](C1)c1nc(c2ccccc2)n[nH]1)NC(c1cc(cnc1)[Br])=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.4024 |
| logD: | 1.1204 |
| logSw: | -2.7308 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.597 |
| InChI Key: | LVRHFYCSGWRESD-HOTGVXAUSA-N |