rel-(3aR,6aR)-2-benzoyl-5-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-N,N-dimethylhexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
Chemical Structure Depiction of
rel-(3aR,6aR)-2-benzoyl-5-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-N,N-dimethylhexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
rel-(3aR,6aR)-2-benzoyl-5-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-N,N-dimethylhexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
Compound characteristics
| Compound ID: | S984-1012 |
| Compound Name: | rel-(3aR,6aR)-2-benzoyl-5-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-N,N-dimethylhexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide |
| Molecular Weight: | 421.5 |
| Molecular Formula: | C23 H27 N5 O3 |
| Smiles: | CN(C)C([C@@]12CN(C[C@H]2CN(C1)C(c1cc(C2CC2)[nH]n1)=O)C(c1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.0362 |
| logD: | 1.0361 |
| logSw: | -2.1998 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.743 |
| InChI Key: | FYHUUWDRVMTDDM-GAJHUEQPSA-N |