rel-(3aR,5S,6aR)-2-benzyl-5-(3-methoxy-2-methylbenzamido)-N-methylhexahydrocyclopenta[c]pyrrole-3a(1H)-carboxamide
Chemical Structure Depiction of
rel-(3aR,5S,6aR)-2-benzyl-5-(3-methoxy-2-methylbenzamido)-N-methylhexahydrocyclopenta[c]pyrrole-3a(1H)-carboxamide
rel-(3aR,5S,6aR)-2-benzyl-5-(3-methoxy-2-methylbenzamido)-N-methylhexahydrocyclopenta[c]pyrrole-3a(1H)-carboxamide
Compound characteristics
| Compound ID: | SD64-0452 |
| Compound Name: | rel-(3aR,5S,6aR)-2-benzyl-5-(3-methoxy-2-methylbenzamido)-N-methylhexahydrocyclopenta[c]pyrrole-3a(1H)-carboxamide |
| Molecular Weight: | 421.54 |
| Molecular Formula: | C25 H31 N3 O3 |
| Smiles: | [H][C@]12C[C@@H](C[C@@]2(CN(Cc2ccccc2)C1)C(NC)=O)NC(c1cccc(c1C)OC)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.1404 |
| logD: | -0.146 |
| logSw: | -3.5106 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.903 |
| InChI Key: | RTZKWBHVILVYEF-RNHFSVANSA-N |