3-cyclohexyl-5-[rel-(3R,4R)-4-(fluoromethyl)-1-(1-methyl-1H-imidazole-4-sulfonyl)pyrrolidin-3-yl]-1H-1,2,4-triazole
Chemical Structure Depiction of
3-cyclohexyl-5-[rel-(3R,4R)-4-(fluoromethyl)-1-(1-methyl-1H-imidazole-4-sulfonyl)pyrrolidin-3-yl]-1H-1,2,4-triazole
3-cyclohexyl-5-[rel-(3R,4R)-4-(fluoromethyl)-1-(1-methyl-1H-imidazole-4-sulfonyl)pyrrolidin-3-yl]-1H-1,2,4-triazole
Compound characteristics
| Compound ID: | SB34-0243 |
| Compound Name: | 3-cyclohexyl-5-[rel-(3R,4R)-4-(fluoromethyl)-1-(1-methyl-1H-imidazole-4-sulfonyl)pyrrolidin-3-yl]-1H-1,2,4-triazole |
| Molecular Weight: | 396.49 |
| Molecular Formula: | C17 H25 F N6 O2 S |
| Smiles: | Cn1cc(nc1)S(N1C[C@@H](CF)[C@@H](C1)c1nc(C2CCCCC2)n[nH]1)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.5736 |
| logD: | 1.5725 |
| logSw: | -2.5273 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.299 |
| InChI Key: | IOHUEQCUAQPFFA-ZIAGYGMSSA-N |