rel-(3aR,6aR)-N,N-dimethyl-2-(3-methylbutanoyl)-5-(pyridine-4-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
Chemical Structure Depiction of
rel-(3aR,6aR)-N,N-dimethyl-2-(3-methylbutanoyl)-5-(pyridine-4-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
rel-(3aR,6aR)-N,N-dimethyl-2-(3-methylbutanoyl)-5-(pyridine-4-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
Compound characteristics
| Compound ID: | S984-0425 |
| Compound Name: | rel-(3aR,6aR)-N,N-dimethyl-2-(3-methylbutanoyl)-5-(pyridine-4-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide |
| Molecular Weight: | 372.47 |
| Molecular Formula: | C20 H28 N4 O3 |
| Smiles: | CC(C)CC(N1C[C@@H]2CN(C[C@@]2(C1)C(N(C)C)=O)C(c1ccncc1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.1115 |
| logD: | -0.1139 |
| logSw: | -0.6811 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.902 |
| InChI Key: | VBWUZAHSYHETOX-UZLBHIALSA-N |