rel-(3aR,5S,6aR)-2-benzyl-5-[2-(4-fluorophenyl)acetamido]-N-methylhexahydrocyclopenta[c]pyrrole-3a(1H)-carboxamide
Chemical Structure Depiction of
rel-(3aR,5S,6aR)-2-benzyl-5-[2-(4-fluorophenyl)acetamido]-N-methylhexahydrocyclopenta[c]pyrrole-3a(1H)-carboxamide
rel-(3aR,5S,6aR)-2-benzyl-5-[2-(4-fluorophenyl)acetamido]-N-methylhexahydrocyclopenta[c]pyrrole-3a(1H)-carboxamide
Compound characteristics
| Compound ID: | SD64-0427 |
| Compound Name: | rel-(3aR,5S,6aR)-2-benzyl-5-[2-(4-fluorophenyl)acetamido]-N-methylhexahydrocyclopenta[c]pyrrole-3a(1H)-carboxamide |
| Molecular Weight: | 409.5 |
| Molecular Formula: | C24 H28 F N3 O2 |
| Smiles: | [H][C@]12C[C@@H](C[C@@]2(CN(Cc2ccccc2)C1)C(NC)=O)NC(Cc1ccc(cc1)F)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.3497 |
| logD: | -0.9368 |
| logSw: | -2.6321 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.059 |
| InChI Key: | YBQOSTMXJMQBAZ-IZIIKQMZSA-N |