rel-(3aR,6aR)-N,N-dimethyl-2-[(3-methylphenoxy)acetyl]-5-(pyridine-4-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
Chemical Structure Depiction of
rel-(3aR,6aR)-N,N-dimethyl-2-[(3-methylphenoxy)acetyl]-5-(pyridine-4-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
rel-(3aR,6aR)-N,N-dimethyl-2-[(3-methylphenoxy)acetyl]-5-(pyridine-4-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
Compound characteristics
| Compound ID: | S984-0486 |
| Compound Name: | rel-(3aR,6aR)-N,N-dimethyl-2-[(3-methylphenoxy)acetyl]-5-(pyridine-4-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide |
| Molecular Weight: | 436.51 |
| Molecular Formula: | C24 H28 N4 O4 |
| Smiles: | Cc1cccc(c1)OCC(N1C[C@@H]2CN(C[C@@]2(C1)C(N(C)C)=O)C(c1ccncc1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.1999 |
| logD: | 0.1975 |
| logSw: | -0.9011 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.13 |
| InChI Key: | PBYNOAQFEKOLTQ-DVECYGJZSA-N |