5-[rel-(3R,4R)-4-(fluoromethyl)-1-(5-fluoro-2-methylbenzene-1-sulfonyl)pyrrolidin-3-yl]-3-methyl-1H-1,2,4-triazole
Chemical Structure Depiction of
5-[rel-(3R,4R)-4-(fluoromethyl)-1-(5-fluoro-2-methylbenzene-1-sulfonyl)pyrrolidin-3-yl]-3-methyl-1H-1,2,4-triazole
5-[rel-(3R,4R)-4-(fluoromethyl)-1-(5-fluoro-2-methylbenzene-1-sulfonyl)pyrrolidin-3-yl]-3-methyl-1H-1,2,4-triazole
Compound characteristics
| Compound ID: | SB34-1276 |
| Compound Name: | 5-[rel-(3R,4R)-4-(fluoromethyl)-1-(5-fluoro-2-methylbenzene-1-sulfonyl)pyrrolidin-3-yl]-3-methyl-1H-1,2,4-triazole |
| Molecular Weight: | 356.39 |
| Molecular Formula: | C15 H18 F2 N4 O2 S |
| Smiles: | Cc1ccc(cc1S(N1C[C@@H](CF)[C@@H](C1)c1nc(C)n[nH]1)(=O)=O)F |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.6812 |
| logD: | 1.6807 |
| logSw: | -2.652 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.58 |
| InChI Key: | SWSMDOXZHSWPHW-DGCLKSJQSA-N |