5-[rel-(3R,4R)-1-[(3,4-difluorophenyl)methyl]-4-(fluoromethyl)pyrrolidin-3-yl]-3-methyl-1H-1,2,4-triazole
Chemical Structure Depiction of
5-[rel-(3R,4R)-1-[(3,4-difluorophenyl)methyl]-4-(fluoromethyl)pyrrolidin-3-yl]-3-methyl-1H-1,2,4-triazole
5-[rel-(3R,4R)-1-[(3,4-difluorophenyl)methyl]-4-(fluoromethyl)pyrrolidin-3-yl]-3-methyl-1H-1,2,4-triazole
Compound characteristics
| Compound ID: | SB34-0045 |
| Compound Name: | 5-[rel-(3R,4R)-1-[(3,4-difluorophenyl)methyl]-4-(fluoromethyl)pyrrolidin-3-yl]-3-methyl-1H-1,2,4-triazole |
| Molecular Weight: | 310.32 |
| Molecular Formula: | C15 H17 F3 N4 |
| Smiles: | Cc1nc([C@@H]2CN(Cc3ccc(c(c3)F)F)C[C@H]2CF)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.8212 |
| logD: | 0.2255 |
| logSw: | -2.0535 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.602 |
| InChI Key: | PKVWLEFSKBXOGF-VXGBXAGGSA-N |