N-[rel-(3aR,5R,6aR)-2-benzyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydrocyclopenta[c]pyrrol-5-yl]-1,3,5-trimethyl-1H-pyrazole-4-carboxamide
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]-1,3,5-trimethyl-1H-pyrazole-4-carboxamide
N-[rel-(3aR,5R,6aR)-2-benzyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydrocyclopenta[c]pyrrol-5-yl]-1,3,5-trimethyl-1H-pyrazole-4-carboxamide
Compound characteristics
| Compound ID: | SB75-1545 |
| Compound Name: | N-[rel-(3aR,5R,6aR)-2-benzyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydrocyclopenta[c]pyrrol-5-yl]-1,3,5-trimethyl-1H-pyrazole-4-carboxamide |
| Molecular Weight: | 434.54 |
| Molecular Formula: | C24 H30 N6 O2 |
| Smiles: | [H][C@]12C[C@H](C[C@@]2(CN(Cc2ccccc2)C1)c1nc(C)no1)NC(c1c(C)nn(C)c1C)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.5955 |
| logD: | -1.5507 |
| logSw: | -1.9565 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.566 |
| InChI Key: | XBMMCSHIXKUWKM-REHUZNOOSA-N |