3-cyclohexyl-5-{rel-(3R,4R)-4-(fluoromethyl)-1-[(1-methyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl}-1H-1,2,4-triazole
Chemical Structure Depiction of
3-cyclohexyl-5-{rel-(3R,4R)-4-(fluoromethyl)-1-[(1-methyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl}-1H-1,2,4-triazole
3-cyclohexyl-5-{rel-(3R,4R)-4-(fluoromethyl)-1-[(1-methyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl}-1H-1,2,4-triazole
Compound characteristics
| Compound ID: | SB34-0268 |
| Compound Name: | 3-cyclohexyl-5-{rel-(3R,4R)-4-(fluoromethyl)-1-[(1-methyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl}-1H-1,2,4-triazole |
| Molecular Weight: | 346.45 |
| Molecular Formula: | C18 H27 F N6 |
| Smiles: | Cn1cc(CN2C[C@@H](CF)[C@@H](C2)c2nc(C3CCCCC3)n[nH]2)cn1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.867 |
| logD: | -4.304 |
| logSw: | -2.2981 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.718 |
| InChI Key: | HQDFJTXVCDAISF-HOTGVXAUSA-N |