rel-(3aR,6aR)-5-[(3,5-difluorophenyl)methyl]-3a-(3-methyl-1H-1,2,4-triazol-5-yl)-N-(propan-2-yl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxamide
Chemical Structure Depiction of
rel-(3aR,6aR)-5-[(3,5-difluorophenyl)methyl]-3a-(3-methyl-1H-1,2,4-triazol-5-yl)-N-(propan-2-yl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxamide
rel-(3aR,6aR)-5-[(3,5-difluorophenyl)methyl]-3a-(3-methyl-1H-1,2,4-triazol-5-yl)-N-(propan-2-yl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxamide
Compound characteristics
| Compound ID: | SB47-0905 |
| Compound Name: | rel-(3aR,6aR)-5-[(3,5-difluorophenyl)methyl]-3a-(3-methyl-1H-1,2,4-triazol-5-yl)-N-(propan-2-yl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxamide |
| Molecular Weight: | 404.46 |
| Molecular Formula: | C20 H26 F2 N6 O |
| Smiles: | CC(C)NC(N1C[C@H]2CN(Cc3cc(cc(c3)F)F)C[C@]2(C1)c1nc(C)n[nH]1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.546 |
| logD: | -1.4113 |
| logSw: | -2.6102 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.6 |
| InChI Key: | NJKHSGPMBHYNNX-YWZLYKJASA-N |