rel-(3aR,6aR)-5-(1-ethylpiperidin-4-yl)-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-(1-ethylpiperidin-4-yl)-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-(1-ethylpiperidin-4-yl)-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: | SB47-0872 |
| Compound Name: | rel-(3aR,6aR)-5-(1-ethylpiperidin-4-yl)-3a-(3-methyl-1H-1,2,4-triazol-5-yl)-N-(propan-2-yl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxamide |
| Molecular Weight: | 389.54 |
| Molecular Formula: | C20 H35 N7 O |
| Smiles: | CCN1CCC(CC1)N1C[C@@H]2CN(C[C@@]2(C1)c1nc(C)n[nH]1)C(NC(C)C)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.4354 |
| logD: | -3.6643 |
| logSw: | -1.7923 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.69 |
| InChI Key: | IQYSIIWOULLGIC-UZLBHIALSA-N |