N-[rel-(3aR,5R,6aR)-2-benzyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydrocyclopenta[c]pyrrol-5-yl]pyrimidine-5-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]pyrimidine-5-carboxamide
N-[rel-(3aR,5R,6aR)-2-benzyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydrocyclopenta[c]pyrrol-5-yl]pyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | SB75-1450 |
| Compound Name: | N-[rel-(3aR,5R,6aR)-2-benzyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydrocyclopenta[c]pyrrol-5-yl]pyrimidine-5-carboxamide |
| Molecular Weight: | 404.47 |
| Molecular Formula: | C22 H24 N6 O2 |
| Smiles: | [H][C@]12C[C@H](C[C@@]2(CN(Cc2ccccc2)C1)c1nc(C)no1)NC(c1cncnc1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.1642 |
| logD: | -1.982 |
| logSw: | -1.5541 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.477 |
| InChI Key: | TWIVMVRYDQCHAH-KNKQGSTJSA-N |