3-cyclohexyl-5-[rel-(3R,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(fluoromethyl)pyrrolidin-3-yl]-1H-1,2,4-triazole
Chemical Structure Depiction of
3-cyclohexyl-5-[rel-(3R,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(fluoromethyl)pyrrolidin-3-yl]-1H-1,2,4-triazole
3-cyclohexyl-5-[rel-(3R,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(fluoromethyl)pyrrolidin-3-yl]-1H-1,2,4-triazole
Compound characteristics
| Compound ID: | SB34-1207 |
| Compound Name: | 3-cyclohexyl-5-[rel-(3R,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(fluoromethyl)pyrrolidin-3-yl]-1H-1,2,4-triazole |
| Molecular Weight: | 361.46 |
| Molecular Formula: | C19 H28 F N5 O |
| Smiles: | Cc1c(CN2C[C@@H](CF)[C@@H](C2)c2nc(C3CCCCC3)n[nH]2)c(C)on1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.8942 |
| logD: | -0.9202 |
| logSw: | -3.1719 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.947 |
| InChI Key: | YBRSVPGLRKNKCD-RDJZCZTQSA-N |