N-[rel-(3aR,5R,6aR)-2-benzyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydrocyclopenta[c]pyrrol-5-yl]-N~2~,N~2~-dimethylglycinamide
Chemical Structure Depiction of
N-[rel-(3aR,5R,6aR)-2-benzyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydrocyclopenta[c]pyrrol-5-yl]-N~2~,N~2~-dimethylglycinamide
N-[rel-(3aR,5R,6aR)-2-benzyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydrocyclopenta[c]pyrrol-5-yl]-N~2~,N~2~-dimethylglycinamide
Compound characteristics
Compound ID: | SB75-1431 |
Compound Name: | N-[rel-(3aR,5R,6aR)-2-benzyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydrocyclopenta[c]pyrrol-5-yl]-N~2~,N~2~-dimethylglycinamide |
Molecular Weight: | 383.49 |
Molecular Formula: | C21 H29 N5 O2 |
Smiles: | [H][C@]12C[C@H](C[C@@]2(CN(Cc2ccccc2)C1)c1nc(C)no1)NC(CN(C)C)=O |
Stereo: | RACEMIC MIXTURE (RELATIVE) |
logP: | 1.2857 |
logD: | -1.8605 |
logSw: | -1.801 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 63.673 |
InChI Key: | ILLMHJNCERMLDB-OPYAIIAOSA-N |