rel-(3aR,5S,6aR)-2-benzyl-5-(3,5-dimethoxybenzamido)-N-methylhexahydrocyclopenta[c]pyrrole-3a(1H)-carboxamide
Chemical Structure Depiction of
rel-(3aR,5S,6aR)-2-benzyl-5-(3,5-dimethoxybenzamido)-N-methylhexahydrocyclopenta[c]pyrrole-3a(1H)-carboxamide
rel-(3aR,5S,6aR)-2-benzyl-5-(3,5-dimethoxybenzamido)-N-methylhexahydrocyclopenta[c]pyrrole-3a(1H)-carboxamide
Compound characteristics
| Compound ID: | SD64-0461 |
| Compound Name: | rel-(3aR,5S,6aR)-2-benzyl-5-(3,5-dimethoxybenzamido)-N-methylhexahydrocyclopenta[c]pyrrole-3a(1H)-carboxamide |
| Molecular Weight: | 437.54 |
| Molecular Formula: | C25 H31 N3 O4 |
| Smiles: | [H][C@]12C[C@@H](C[C@@]2(CN(Cc2ccccc2)C1)C(NC)=O)NC(c1cc(cc(c1)OC)OC)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.7419 |
| logD: | -0.5445 |
| logSw: | -3.185 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.36 |
| InChI Key: | NADLEFPCYUJLAH-RNHFSVANSA-N |