rel-(3aR,5S,6aR)-2-benzyl-N-methyl-5-[(3-phenyl-1H-pyrazole-4-carbonyl)amino]hexahydrocyclopenta[c]pyrrole-3a(1H)-carboxamide
Chemical Structure Depiction of
rel-(3aR,5S,6aR)-2-benzyl-N-methyl-5-[(3-phenyl-1H-pyrazole-4-carbonyl)amino]hexahydrocyclopenta[c]pyrrole-3a(1H)-carboxamide
rel-(3aR,5S,6aR)-2-benzyl-N-methyl-5-[(3-phenyl-1H-pyrazole-4-carbonyl)amino]hexahydrocyclopenta[c]pyrrole-3a(1H)-carboxamide
Compound characteristics
| Compound ID: | SD64-0493 |
| Compound Name: | rel-(3aR,5S,6aR)-2-benzyl-N-methyl-5-[(3-phenyl-1H-pyrazole-4-carbonyl)amino]hexahydrocyclopenta[c]pyrrole-3a(1H)-carboxamide |
| Molecular Weight: | 443.55 |
| Molecular Formula: | C26 H29 N5 O2 |
| Smiles: | [H][C@]12C[C@@H](C[C@@]2(CN(Cc2ccccc2)C1)C(NC)=O)NC(c1c[nH]nc1c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.7838 |
| logD: | -0.5027 |
| logSw: | -3.352 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 77.462 |
| InChI Key: | BSHDWOYFOLLMSQ-SWYRRKHMSA-N |