3-cyclohexyl-5-[rel-(3R,4R)-1-(1,2-dimethyl-1H-imidazole-4-sulfonyl)-4-(fluoromethyl)pyrrolidin-3-yl]-1H-1,2,4-triazole
Chemical Structure Depiction of
3-cyclohexyl-5-[rel-(3R,4R)-1-(1,2-dimethyl-1H-imidazole-4-sulfonyl)-4-(fluoromethyl)pyrrolidin-3-yl]-1H-1,2,4-triazole
3-cyclohexyl-5-[rel-(3R,4R)-1-(1,2-dimethyl-1H-imidazole-4-sulfonyl)-4-(fluoromethyl)pyrrolidin-3-yl]-1H-1,2,4-triazole
Compound characteristics
| Compound ID: | SB34-1137 |
| Compound Name: | 3-cyclohexyl-5-[rel-(3R,4R)-1-(1,2-dimethyl-1H-imidazole-4-sulfonyl)-4-(fluoromethyl)pyrrolidin-3-yl]-1H-1,2,4-triazole |
| Molecular Weight: | 410.51 |
| Molecular Formula: | C18 H27 F N6 O2 S |
| Smiles: | Cc1nc(cn1C)S(N1C[C@@H](CF)[C@@H](C1)c1nc(C2CCCCC2)n[nH]1)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.9173 |
| logD: | 1.9161 |
| logSw: | -2.6814 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.238 |
| InChI Key: | YQBGQYPMPJFYNF-HUUCEWRRSA-N |