rel-(3aR,6aR)-5-(furan-3-carbonyl)-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-(furan-3-carbonyl)-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-(furan-3-carbonyl)-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: | SB47-0917 |
| Compound Name: | rel-(3aR,6aR)-5-(furan-3-carbonyl)-3a-(3-methyl-1H-1,2,4-triazol-5-yl)-N-(propan-2-yl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxamide |
| Molecular Weight: | 372.43 |
| Molecular Formula: | C18 H24 N6 O3 |
| Smiles: | CC(C)NC(N1C[C@H]2CN(C[C@]2(C1)c1nc(C)n[nH]1)C(c1ccoc1)=O)=O |
| Stereo: | RELATIVE |
| logP: | 0.9141 |
| logD: | 0.9138 |
| logSw: | -1.9384 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.319 |
| InChI Key: | STMJEUKIETZGQQ-KDOFPFPSSA-N |