rel-(3aR,6aR)-2-[(1H-indol-5-yl)methyl]-N,N-dimethyl-5-(pyridine-4-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
Chemical Structure Depiction of
rel-(3aR,6aR)-2-[(1H-indol-5-yl)methyl]-N,N-dimethyl-5-(pyridine-4-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
rel-(3aR,6aR)-2-[(1H-indol-5-yl)methyl]-N,N-dimethyl-5-(pyridine-4-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
Compound characteristics
| Compound ID: | S984-0444 |
| Compound Name: | rel-(3aR,6aR)-2-[(1H-indol-5-yl)methyl]-N,N-dimethyl-5-(pyridine-4-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide |
| Molecular Weight: | 417.51 |
| Molecular Formula: | C24 H27 N5 O2 |
| Smiles: | CN(C)C([C@]12CN(Cc3ccc4c(cc[nH]4)c3)C[C@@H]2CN(C1)C(c1ccncc1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.5417 |
| logD: | -3.3646 |
| logSw: | -1.5743 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.023 |
| InChI Key: | CIZRHGYVNDMGJF-YKSBVNFPSA-N |