rel-(3aR,6aR)-2-benzyl-N,N-dimethyl-5-(1-methyl-1H-pyrrole-2-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
Chemical Structure Depiction of
rel-(3aR,6aR)-2-benzyl-N,N-dimethyl-5-(1-methyl-1H-pyrrole-2-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
rel-(3aR,6aR)-2-benzyl-N,N-dimethyl-5-(1-methyl-1H-pyrrole-2-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
Compound characteristics
| Compound ID: | S984-0164 |
| Compound Name: | rel-(3aR,6aR)-2-benzyl-N,N-dimethyl-5-(1-methyl-1H-pyrrole-2-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide |
| Molecular Weight: | 380.49 |
| Molecular Formula: | C22 H28 N4 O2 |
| Smiles: | CN(C)C([C@@]12CN(Cc3ccccc3)C[C@H]2CN(C1)C(c1cccn1C)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.7563 |
| logD: | -2.643 |
| logSw: | -1.8878 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.231 |
| InChI Key: | JXHJWAOUUXHDAS-GCJKJVERSA-N |