2-[rel-(3R,4R)-1-(4-fluoro-3-methylbenzene-1-sulfonyl)-4-(methoxymethyl)pyrrolidin-3-yl]-5-phenyl-1,3,4-oxadiazole
Chemical Structure Depiction of
2-[rel-(3R,4R)-1-(4-fluoro-3-methylbenzene-1-sulfonyl)-4-(methoxymethyl)pyrrolidin-3-yl]-5-phenyl-1,3,4-oxadiazole
2-[rel-(3R,4R)-1-(4-fluoro-3-methylbenzene-1-sulfonyl)-4-(methoxymethyl)pyrrolidin-3-yl]-5-phenyl-1,3,4-oxadiazole
Compound characteristics
| Compound ID: | SB54-0724 |
| Compound Name: | 2-[rel-(3R,4R)-1-(4-fluoro-3-methylbenzene-1-sulfonyl)-4-(methoxymethyl)pyrrolidin-3-yl]-5-phenyl-1,3,4-oxadiazole |
| Molecular Weight: | 431.48 |
| Molecular Formula: | C21 H22 F N3 O4 S |
| Smiles: | Cc1cc(ccc1F)S(N1C[C@@H](COC)[C@@H](C1)c1nnc(c2ccccc2)o1)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.5232 |
| logD: | 3.5232 |
| logSw: | -3.8898 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.85 |
| InChI Key: | SAGNQGDUBVNQNU-FUHWJXTLSA-N |