2-[rel-(3R,4R)-1-(4-fluoro-3-methylbenzene-1-sulfonyl)-4-(methoxymethyl)pyrrolidin-3-yl]-5-methyl-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-methyl-1,3,4-oxadiazole
2-[rel-(3R,4R)-1-(4-fluoro-3-methylbenzene-1-sulfonyl)-4-(methoxymethyl)pyrrolidin-3-yl]-5-methyl-1,3,4-oxadiazole
Compound characteristics
| Compound ID: | SB54-0180 |
| Compound Name: | 2-[rel-(3R,4R)-1-(4-fluoro-3-methylbenzene-1-sulfonyl)-4-(methoxymethyl)pyrrolidin-3-yl]-5-methyl-1,3,4-oxadiazole |
| Molecular Weight: | 369.41 |
| Molecular Formula: | C16 H20 F N3 O4 S |
| Smiles: | Cc1cc(ccc1F)S(N1C[C@@H](COC)[C@@H](C1)c1nnc(C)o1)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.8777 |
| logD: | 1.8777 |
| logSw: | -2.7084 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.35 |
| InChI Key: | PBVMQLQTIZFHMM-GXTWGEPZSA-N |