rel-(3aR,6aR)-2-(3-fluoro-4-methylbenzoyl)-N,N-dimethyl-5-[(pyridin-3-yl)methyl]hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
Chemical Structure Depiction of
rel-(3aR,6aR)-2-(3-fluoro-4-methylbenzoyl)-N,N-dimethyl-5-[(pyridin-3-yl)methyl]hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
rel-(3aR,6aR)-2-(3-fluoro-4-methylbenzoyl)-N,N-dimethyl-5-[(pyridin-3-yl)methyl]hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
Compound characteristics
| Compound ID: | S984-0356 |
| Compound Name: | rel-(3aR,6aR)-2-(3-fluoro-4-methylbenzoyl)-N,N-dimethyl-5-[(pyridin-3-yl)methyl]hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide |
| Molecular Weight: | 410.49 |
| Molecular Formula: | C23 H27 F N4 O2 |
| Smiles: | Cc1ccc(cc1F)C(N1C[C@@H]2CN(Cc3cccnc3)C[C@@]2(C1)C(N(C)C)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.9706 |
| logD: | -2.7863 |
| logSw: | -1.0738 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.332 |
| InChI Key: | KHODODYGXMTNTO-XXBNENTESA-N |