(5-bromopyridin-3-yl)[rel-(3R,4R)-3-(fluoromethyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone
Chemical Structure Depiction of
(5-bromopyridin-3-yl)[rel-(3R,4R)-3-(fluoromethyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone
(5-bromopyridin-3-yl)[rel-(3R,4R)-3-(fluoromethyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone
Compound characteristics
| Compound ID: | SB34-0477 |
| Compound Name: | (5-bromopyridin-3-yl)[rel-(3R,4R)-3-(fluoromethyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone |
| Molecular Weight: | 430.28 |
| Molecular Formula: | C19 H17 Br F N5 O |
| Smiles: | C1[C@@H](CF)[C@@H](CN1C(c1cc(cnc1)[Br])=O)c1nc(c2ccccc2)n[nH]1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.8395 |
| logD: | 2.8351 |
| logSw: | -3.2286 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.24 |
| InChI Key: | VCOFNMUQSQPQSU-GDBMZVCRSA-N |