5-[rel-(3R,4R)-4-(fluoromethyl)-1-({4-[(propan-2-yl)oxy]phenyl}methyl)pyrrolidin-3-yl]-3-methyl-1H-1,2,4-triazole
Chemical Structure Depiction of
5-[rel-(3R,4R)-4-(fluoromethyl)-1-({4-[(propan-2-yl)oxy]phenyl}methyl)pyrrolidin-3-yl]-3-methyl-1H-1,2,4-triazole
5-[rel-(3R,4R)-4-(fluoromethyl)-1-({4-[(propan-2-yl)oxy]phenyl}methyl)pyrrolidin-3-yl]-3-methyl-1H-1,2,4-triazole
Compound characteristics
| Compound ID: | SB34-1340 |
| Compound Name: | 5-[rel-(3R,4R)-4-(fluoromethyl)-1-({4-[(propan-2-yl)oxy]phenyl}methyl)pyrrolidin-3-yl]-3-methyl-1H-1,2,4-triazole |
| Molecular Weight: | 332.42 |
| Molecular Formula: | C18 H25 F N4 O |
| Smiles: | CC(C)Oc1ccc(CN2C[C@@H](CF)[C@@H](C2)c2nc(C)n[nH]2)cc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.2623 |
| logD: | 0.2755 |
| logSw: | -2.7435 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.404 |
| InChI Key: | BDWIPMIZKBOLPR-RDJZCZTQSA-N |