2-(azepan-1-yl)-N-[rel-(3aR,5R,6aR)-2-benzyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydrocyclopenta[c]pyrrol-5-yl]acetamide
Chemical Structure Depiction of
2-(azepan-1-yl)-N-[rel-(3aR,5R,6aR)-2-benzyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydrocyclopenta[c]pyrrol-5-yl]acetamide
2-(azepan-1-yl)-N-[rel-(3aR,5R,6aR)-2-benzyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydrocyclopenta[c]pyrrol-5-yl]acetamide
Compound characteristics
| Compound ID: | SB75-1473 |
| Compound Name: | 2-(azepan-1-yl)-N-[rel-(3aR,5R,6aR)-2-benzyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydrocyclopenta[c]pyrrol-5-yl]acetamide |
| Molecular Weight: | 437.58 |
| Molecular Formula: | C25 H35 N5 O2 |
| Smiles: | [H][C@]12C[C@H](C[C@@]2(CN(Cc2ccccc2)C1)c1nc(C)no1)NC(CN1CCCCCC1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.3097 |
| logD: | 0.1635 |
| logSw: | -3.2701 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.849 |
| InChI Key: | QKPBEHWDDPLMEI-RQTOMXEWSA-N |