rel-(3aR,5S,6aR)-2-benzyl-5-(3-chloro-4-fluorobenzamido)-N-methylhexahydrocyclopenta[c]pyrrole-3a(1H)-carboxamide
Chemical Structure Depiction of
rel-(3aR,5S,6aR)-2-benzyl-5-(3-chloro-4-fluorobenzamido)-N-methylhexahydrocyclopenta[c]pyrrole-3a(1H)-carboxamide
rel-(3aR,5S,6aR)-2-benzyl-5-(3-chloro-4-fluorobenzamido)-N-methylhexahydrocyclopenta[c]pyrrole-3a(1H)-carboxamide
Compound characteristics
| Compound ID: | SD64-0419 |
| Compound Name: | rel-(3aR,5S,6aR)-2-benzyl-5-(3-chloro-4-fluorobenzamido)-N-methylhexahydrocyclopenta[c]pyrrole-3a(1H)-carboxamide |
| Molecular Weight: | 429.92 |
| Molecular Formula: | C23 H25 Cl F N3 O2 |
| Smiles: | [H][C@]12C[C@@H](C[C@@]2(CN(Cc2ccccc2)C1)C(NC)=O)NC(c1ccc(c(c1)[Cl])F)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.0164 |
| logD: | -0.2701 |
| logSw: | -3.678 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.272 |
| InChI Key: | JHWGSOCGYQKQCQ-STSQHVNTSA-N |