rel-(3aR,6aR)-3a-(3-methyl-1H-1,2,4-triazol-5-yl)-N-(propan-2-yl)-5-({4-[(propan-2-yl)oxy]phenyl}methyl)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)-N-(propan-2-yl)-5-({4-[(propan-2-yl)oxy]phenyl}methyl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxamide
rel-(3aR,6aR)-3a-(3-methyl-1H-1,2,4-triazol-5-yl)-N-(propan-2-yl)-5-({4-[(propan-2-yl)oxy]phenyl}methyl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxamide
Compound characteristics
| Compound ID: | SB47-0900 |
| Compound Name: | rel-(3aR,6aR)-3a-(3-methyl-1H-1,2,4-triazol-5-yl)-N-(propan-2-yl)-5-({4-[(propan-2-yl)oxy]phenyl}methyl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxamide |
| Molecular Weight: | 426.56 |
| Molecular Formula: | C23 H34 N6 O2 |
| Smiles: | CC(C)NC(N1C[C@H]2CN(Cc3ccc(cc3)OC(C)C)C[C@]2(C1)c1nc(C)n[nH]1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.7997 |
| logD: | -1.4195 |
| logSw: | -3.1254 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.402 |
| InChI Key: | NJSCAJXSCOCMLK-XXBNENTESA-N |