rel-(3aR,5S,6aR)-2-benzyl-N-methyl-5-[(3-methylpyridine-2-carbonyl)amino]hexahydrocyclopenta[c]pyrrole-3a(1H)-carboxamide
Chemical Structure Depiction of
rel-(3aR,5S,6aR)-2-benzyl-N-methyl-5-[(3-methylpyridine-2-carbonyl)amino]hexahydrocyclopenta[c]pyrrole-3a(1H)-carboxamide
rel-(3aR,5S,6aR)-2-benzyl-N-methyl-5-[(3-methylpyridine-2-carbonyl)amino]hexahydrocyclopenta[c]pyrrole-3a(1H)-carboxamide
Compound characteristics
| Compound ID: | SD64-0467 |
| Compound Name: | rel-(3aR,5S,6aR)-2-benzyl-N-methyl-5-[(3-methylpyridine-2-carbonyl)amino]hexahydrocyclopenta[c]pyrrole-3a(1H)-carboxamide |
| Molecular Weight: | 392.5 |
| Molecular Formula: | C23 H28 N4 O2 |
| Smiles: | [H][C@]12C[C@@H](C[C@@]2(CN(Cc2ccccc2)C1)C(NC)=O)NC(c1c(C)cccn1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.9178 |
| logD: | -1.3686 |
| logSw: | -2.2348 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.09 |
| InChI Key: | AGKQELSVTVEHLU-MSYCTHLASA-N |