rel-(3aR,6aR)-2-(3,4-dimethoxybenzene-1-sulfonyl)-3a-(5-methyl-1,2,4-oxadiazol-3-yl)octahydrocyclopenta[c]pyrrole
Chemical Structure Depiction of
rel-(3aR,6aR)-2-(3,4-dimethoxybenzene-1-sulfonyl)-3a-(5-methyl-1,2,4-oxadiazol-3-yl)octahydrocyclopenta[c]pyrrole
rel-(3aR,6aR)-2-(3,4-dimethoxybenzene-1-sulfonyl)-3a-(5-methyl-1,2,4-oxadiazol-3-yl)octahydrocyclopenta[c]pyrrole
Compound characteristics
| Compound ID: | SB55-0299 |
| Compound Name: | rel-(3aR,6aR)-2-(3,4-dimethoxybenzene-1-sulfonyl)-3a-(5-methyl-1,2,4-oxadiazol-3-yl)octahydrocyclopenta[c]pyrrole |
| Molecular Weight: | 393.46 |
| Molecular Formula: | C18 H23 N3 O5 S |
| Smiles: | [H][C@@]12CCC[C@]2(CN(C1)S(c1ccc(c(c1)OC)OC)(=O)=O)c1nc(C)on1 |
| Stereo: | RELATIVE |
| logP: | 2.3094 |
| logD: | 2.3094 |
| logSw: | -2.7444 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 78.635 |
| InChI Key: | NUFVYKWLXSTMMR-ACJLOTCBSA-N |