rel-(3aR,6aR)-2-benzyl-N,N-dimethyl-5-propanoylhexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
Chemical Structure Depiction of
rel-(3aR,6aR)-2-benzyl-N,N-dimethyl-5-propanoylhexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
rel-(3aR,6aR)-2-benzyl-N,N-dimethyl-5-propanoylhexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
Compound characteristics
| Compound ID: | S984-0169 |
| Compound Name: | rel-(3aR,6aR)-2-benzyl-N,N-dimethyl-5-propanoylhexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide |
| Molecular Weight: | 329.44 |
| Molecular Formula: | C19 H27 N3 O2 |
| Smiles: | CCC(N1C[C@@H]2CN(Cc3ccccc3)C[C@@]2(C1)C(N(C)C)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.9416 |
| logD: | -3.5739 |
| logSw: | -1.4407 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.558 |
| InChI Key: | IRQATJXQKUXWMZ-LPHOPBHVSA-N |