rel-(3aR,5S,6aR)-2-benzyl-N-methyl-5-[(3-methyl-1H-pyrazole-5-carbonyl)amino]hexahydrocyclopenta[c]pyrrole-3a(1H)-carboxamide
Chemical Structure Depiction of
rel-(3aR,5S,6aR)-2-benzyl-N-methyl-5-[(3-methyl-1H-pyrazole-5-carbonyl)amino]hexahydrocyclopenta[c]pyrrole-3a(1H)-carboxamide
rel-(3aR,5S,6aR)-2-benzyl-N-methyl-5-[(3-methyl-1H-pyrazole-5-carbonyl)amino]hexahydrocyclopenta[c]pyrrole-3a(1H)-carboxamide
Compound characteristics
| Compound ID: | SD64-0492 |
| Compound Name: | rel-(3aR,5S,6aR)-2-benzyl-N-methyl-5-[(3-methyl-1H-pyrazole-5-carbonyl)amino]hexahydrocyclopenta[c]pyrrole-3a(1H)-carboxamide |
| Molecular Weight: | 381.48 |
| Molecular Formula: | C21 H27 N5 O2 |
| Smiles: | [H][C@]12C[C@@H](C[C@@]2(CN(Cc2ccccc2)C1)C(NC)=O)NC(c1cc(C)n[nH]1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.4498 |
| logD: | -1.8366 |
| logSw: | -2.0368 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 75.84 |
| InChI Key: | SCYOFQKQXPVGAD-WWMYMODYSA-N |