rel-(3aR,6aR)-3a-(3-methyl-1H-1,2,4-triazol-5-yl)-N-(propan-2-yl)-5-[(thiophen-3-yl)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-[(thiophen-3-yl)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-[(thiophen-3-yl)methyl]hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxamide
Compound characteristics
| Compound ID: | SB47-0903 |
| Compound Name: | rel-(3aR,6aR)-3a-(3-methyl-1H-1,2,4-triazol-5-yl)-N-(propan-2-yl)-5-[(thiophen-3-yl)methyl]hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxamide |
| Molecular Weight: | 374.51 |
| Molecular Formula: | C18 H26 N6 O S |
| Smiles: | CC(C)NC(N1C[C@H]2CN(Cc3ccsc3)C[C@]2(C1)c1nc(C)n[nH]1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.846 |
| logD: | -3.5403 |
| logSw: | -2.439 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.618 |
| InChI Key: | PXYXJNDNLVZNDC-QAPCUYQASA-N |