rel-(3aR,6aR)-5-acetyl-N-(3-fluoro-4-methylphenyl)-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxamide
Chemical Structure Depiction of
rel-(3aR,6aR)-5-acetyl-N-(3-fluoro-4-methylphenyl)-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxamide
rel-(3aR,6aR)-5-acetyl-N-(3-fluoro-4-methylphenyl)-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxamide
Compound characteristics
| Compound ID: | S984-1122 |
| Compound Name: | rel-(3aR,6aR)-5-acetyl-N-(3-fluoro-4-methylphenyl)-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxamide |
| Molecular Weight: | 402.47 |
| Molecular Formula: | C21 H27 F N4 O3 |
| Smiles: | CC(N1C[C@H]2CN(C[C@]2(C1)C(N1CCCC1)=O)C(Nc1ccc(C)c(c1)F)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.0222 |
| logD: | 2.0221 |
| logSw: | -2.7429 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.304 |
| InChI Key: | OVDQTYMBPZXZKU-IERDGZPVSA-N |