rel-(3aR,6aR)-2-benzyl-5-(1-ethyl-1H-pyrazole-3-carbonyl)-N,N-dimethylhexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
Chemical Structure Depiction of
rel-(3aR,6aR)-2-benzyl-5-(1-ethyl-1H-pyrazole-3-carbonyl)-N,N-dimethylhexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
rel-(3aR,6aR)-2-benzyl-5-(1-ethyl-1H-pyrazole-3-carbonyl)-N,N-dimethylhexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
Compound characteristics
| Compound ID: | S984-0191 |
| Compound Name: | rel-(3aR,6aR)-2-benzyl-5-(1-ethyl-1H-pyrazole-3-carbonyl)-N,N-dimethylhexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide |
| Molecular Weight: | 395.5 |
| Molecular Formula: | C22 H29 N5 O2 |
| Smiles: | CCn1ccc(C(N2C[C@@H]3CN(Cc4ccccc4)C[C@@]3(C2)C(N(C)C)=O)=O)n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.633 |
| logD: | -3.7663 |
| logSw: | -1.3307 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 51.199 |
| InChI Key: | JMSIFPMZYNUPFV-GCJKJVERSA-N |