2-(1H-indol-3-yl)-1-[rel-(3aR,6aR)-3a-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]hexahydrocyclopenta[c]pyrrol-2(1H)-yl]ethan-1-one
Chemical Structure Depiction of
2-(1H-indol-3-yl)-1-[rel-(3aR,6aR)-3a-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]hexahydrocyclopenta[c]pyrrol-2(1H)-yl]ethan-1-one
2-(1H-indol-3-yl)-1-[rel-(3aR,6aR)-3a-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]hexahydrocyclopenta[c]pyrrol-2(1H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | SB55-0542 |
| Compound Name: | 2-(1H-indol-3-yl)-1-[rel-(3aR,6aR)-3a-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]hexahydrocyclopenta[c]pyrrol-2(1H)-yl]ethan-1-one |
| Molecular Weight: | 392.5 |
| Molecular Formula: | C23 H28 N4 O2 |
| Smiles: | [H][C@@]12CCC[C@]2(CN(C1)C(Cc1c[nH]c2ccccc12)=O)c1nc(CC(C)C)on1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.4153 |
| logD: | 4.4153 |
| logSw: | -4.184 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.092 |
| InChI Key: | XCHQFNRZRWHGOA-HXOBKFHXSA-N |