rel-(3aR,6aR)-3a-(3-methyl-1H-1,2,4-triazol-5-yl)-5-(oxan-4-yl)-N-(propan-2-yl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxamide
Chemical Structure Depiction of
rel-(3aR,6aR)-3a-(3-methyl-1H-1,2,4-triazol-5-yl)-5-(oxan-4-yl)-N-(propan-2-yl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxamide
rel-(3aR,6aR)-3a-(3-methyl-1H-1,2,4-triazol-5-yl)-5-(oxan-4-yl)-N-(propan-2-yl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxamide
Compound characteristics
| Compound ID: | SB47-0958 |
| Compound Name: | rel-(3aR,6aR)-3a-(3-methyl-1H-1,2,4-triazol-5-yl)-5-(oxan-4-yl)-N-(propan-2-yl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxamide |
| Molecular Weight: | 362.47 |
| Molecular Formula: | C18 H30 N6 O2 |
| Smiles: | CC(C)NC(N1C[C@H]2CN(C[C@]2(C1)c1nc(C)n[nH]1)C1CCOCC1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.915 |
| logD: | -4.8276 |
| logSw: | -1.5661 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.061 |
| InChI Key: | IUXZDZNQCIDZIR-KDOFPFPSSA-N |