rel-(3aR,7aS)-2-(5-methyl-7-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
rel-(3aR,7aS)-2-(5-methyl-7-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
rel-(3aR,7aS)-2-(5-methyl-7-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | D413-0296 |
| Compound Name: | rel-(3aR,7aS)-2-(5-methyl-7-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 361.4 |
| Molecular Formula: | C20 H19 N5 O2 |
| Smiles: | CC1=CC(c2ccccc2)n2c(N1)nc(n2)N1C([C@H]2CC=CC[C@H]2C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.8467 |
| logD: | 2.8467 |
| logSw: | -3.2237 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.19 |
| InChI Key: | NSKQPWDRULQQDX-UHFFFAOYSA-N |