3-cyclohexyl-5-{rel-(3R,4R)-4-(fluoromethyl)-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-3-yl}-1H-1,2,4-triazole
Chemical Structure Depiction of
3-cyclohexyl-5-{rel-(3R,4R)-4-(fluoromethyl)-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-3-yl}-1H-1,2,4-triazole
3-cyclohexyl-5-{rel-(3R,4R)-4-(fluoromethyl)-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-3-yl}-1H-1,2,4-triazole
Compound characteristics
| Compound ID: | SB34-1135 |
| Compound Name: | 3-cyclohexyl-5-{rel-(3R,4R)-4-(fluoromethyl)-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-3-yl}-1H-1,2,4-triazole |
| Molecular Weight: | 346.45 |
| Molecular Formula: | C19 H27 F N4 O |
| Smiles: | Cc1ccc(CN2C[C@@H](CF)[C@@H](C2)c2nc(C3CCCCC3)n[nH]2)o1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.5284 |
| logD: | 0.7651 |
| logSw: | -3.6724 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.172 |
| InChI Key: | JZXQIKOBQORYCY-RDJZCZTQSA-N |