rel-(3aR,6aR)-N~3a~,N~3a~-dimethyl-N~2~-(3-methylbutyl)-5-(pyridine-4-carbonyl)tetrahydropyrrolo[3,4-c]pyrrole-2,3a(1H,3H)-dicarboxamide
Chemical Structure Depiction of
rel-(3aR,6aR)-N~3a~,N~3a~-dimethyl-N~2~-(3-methylbutyl)-5-(pyridine-4-carbonyl)tetrahydropyrrolo[3,4-c]pyrrole-2,3a(1H,3H)-dicarboxamide
rel-(3aR,6aR)-N~3a~,N~3a~-dimethyl-N~2~-(3-methylbutyl)-5-(pyridine-4-carbonyl)tetrahydropyrrolo[3,4-c]pyrrole-2,3a(1H,3H)-dicarboxamide
Compound characteristics
| Compound ID: | S984-0501 |
| Compound Name: | rel-(3aR,6aR)-N~3a~,N~3a~-dimethyl-N~2~-(3-methylbutyl)-5-(pyridine-4-carbonyl)tetrahydropyrrolo[3,4-c]pyrrole-2,3a(1H,3H)-dicarboxamide |
| Molecular Weight: | 401.51 |
| Molecular Formula: | C21 H31 N5 O3 |
| Smiles: | CC(C)CCNC(N1C[C@@H]2CN(C[C@@]2(C1)C(N(C)C)=O)C(c1ccncc1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.431 |
| logD: | 0.4286 |
| logSw: | -1.182 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.414 |
| InChI Key: | LCJXXVYTZOCMJK-UTKZUKDTSA-N |