rel-(3aR,6aR)-N,5-dibenzyl-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)-N,5-dibenzyl-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxamide
rel-(3aR,6aR)-N,5-dibenzyl-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxamide
Compound characteristics
| Compound ID: | SB47-0566 |
| Compound Name: | rel-(3aR,6aR)-N,5-dibenzyl-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxamide |
| Molecular Weight: | 416.53 |
| Molecular Formula: | C24 H28 N6 O |
| Smiles: | Cc1nc([C@@]23CN(Cc4ccccc4)C[C@H]3CN(C2)C(NCc2ccccc2)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.5423 |
| logD: | -1.9379 |
| logSw: | -2.6393 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.354 |
| InChI Key: | IYGYIJLQSUIHLO-QPPBQGQZSA-N |