3-cyclohexyl-5-[rel-(3R,4R)-1-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-4-(fluoromethyl)pyrrolidin-3-yl]-1H-1,2,4-triazole
Chemical Structure Depiction of
3-cyclohexyl-5-[rel-(3R,4R)-1-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-4-(fluoromethyl)pyrrolidin-3-yl]-1H-1,2,4-triazole
3-cyclohexyl-5-[rel-(3R,4R)-1-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-4-(fluoromethyl)pyrrolidin-3-yl]-1H-1,2,4-triazole
Compound characteristics
| Compound ID: | SB34-1218 |
| Compound Name: | 3-cyclohexyl-5-[rel-(3R,4R)-1-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-4-(fluoromethyl)pyrrolidin-3-yl]-1H-1,2,4-triazole |
| Molecular Weight: | 360.48 |
| Molecular Formula: | C19 H29 F N6 |
| Smiles: | Cc1c(CN2C[C@@H](CF)[C@@H](C2)c2nc(C3CCCCC3)n[nH]2)cn(C)n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.1809 |
| logD: | -3.7741 |
| logSw: | -2.6649 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.071 |
| InChI Key: | LDCUFWPVAWISRT-RDJZCZTQSA-N |