rel-(3aR,6aR)-2-(3-fluoro-4-methoxybenzoyl)-N,N-dimethyl-5-(pyridine-4-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
Chemical Structure Depiction of
rel-(3aR,6aR)-2-(3-fluoro-4-methoxybenzoyl)-N,N-dimethyl-5-(pyridine-4-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
rel-(3aR,6aR)-2-(3-fluoro-4-methoxybenzoyl)-N,N-dimethyl-5-(pyridine-4-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
Compound characteristics
| Compound ID: | S984-0437 |
| Compound Name: | rel-(3aR,6aR)-2-(3-fluoro-4-methoxybenzoyl)-N,N-dimethyl-5-(pyridine-4-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide |
| Molecular Weight: | 440.47 |
| Molecular Formula: | C23 H25 F N4 O4 |
| Smiles: | CN(C)C([C@@]12CN(C[C@H]2CN(C1)C(c1ccc(c(c1)F)OC)=O)C(c1ccncc1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.0775 |
| logD: | -0.0798 |
| logSw: | -0.9436 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.788 |
| InChI Key: | QAJYQVKZZZSLAS-HXOBKFHXSA-N |