rel-(3aR,6aR)-N,N-dimethyl-2-{[4-(propan-2-yl)phenyl]methyl}-5-(pyridine-4-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
Chemical Structure Depiction of
rel-(3aR,6aR)-N,N-dimethyl-2-{[4-(propan-2-yl)phenyl]methyl}-5-(pyridine-4-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
rel-(3aR,6aR)-N,N-dimethyl-2-{[4-(propan-2-yl)phenyl]methyl}-5-(pyridine-4-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
Compound characteristics
| Compound ID: | S984-0511 |
| Compound Name: | rel-(3aR,6aR)-N,N-dimethyl-2-{[4-(propan-2-yl)phenyl]methyl}-5-(pyridine-4-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide |
| Molecular Weight: | 420.55 |
| Molecular Formula: | C25 H32 N4 O2 |
| Smiles: | CC(C)c1ccc(CN2C[C@@H]3CN(C[C@@]3(C2)C(N(C)C)=O)C(c2ccncc2)=O)cc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.7874 |
| logD: | -3.1526 |
| logSw: | -1.771 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.242 |
| InChI Key: | AZLMHTJVHPMCLP-RDGATRHJSA-N |