rel-(3aR,6aR)-N,N-dimethyl-2-(4-phenylbutanoyl)-5-[(pyridin-3-yl)methyl]hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
Chemical Structure Depiction of
rel-(3aR,6aR)-N,N-dimethyl-2-(4-phenylbutanoyl)-5-[(pyridin-3-yl)methyl]hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
rel-(3aR,6aR)-N,N-dimethyl-2-(4-phenylbutanoyl)-5-[(pyridin-3-yl)methyl]hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
Compound characteristics
| Compound ID: | S984-0332 |
| Compound Name: | rel-(3aR,6aR)-N,N-dimethyl-2-(4-phenylbutanoyl)-5-[(pyridin-3-yl)methyl]hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide |
| Molecular Weight: | 420.55 |
| Molecular Formula: | C25 H32 N4 O2 |
| Smiles: | CN(C)C([C@@]12CN(Cc3cccnc3)C[C@H]2CN(C1)C(CCCc1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.5856 |
| logD: | -2.2875 |
| logSw: | -1.1599 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.805 |
| InChI Key: | UFDSNBBHNWPGBI-DHLKQENFSA-N |