rel-(3aR,6aR)-5-benzyl-N-(2-methoxyethyl)-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxamide
Chemical Structure Depiction of
rel-(3aR,6aR)-5-benzyl-N-(2-methoxyethyl)-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxamide
rel-(3aR,6aR)-5-benzyl-N-(2-methoxyethyl)-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxamide
Compound characteristics
| Compound ID: | SB47-0531 |
| Compound Name: | rel-(3aR,6aR)-5-benzyl-N-(2-methoxyethyl)-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxamide |
| Molecular Weight: | 384.48 |
| Molecular Formula: | C20 H28 N6 O2 |
| Smiles: | Cc1nc([C@@]23CN(Cc4ccccc4)C[C@H]3CN(C2)C(NCCOC)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.5181 |
| logD: | -2.9621 |
| logSw: | -1.8036 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.81 |
| InChI Key: | YYXVGHQUOVTUKL-XLIONFOSSA-N |