1-[(2,5-dimethylphenyl)methyl]-5-phenyl-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Chemical Structure Depiction of
1-[(2,5-dimethylphenyl)methyl]-5-phenyl-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
1-[(2,5-dimethylphenyl)methyl]-5-phenyl-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Compound characteristics
| Compound ID: | C433-0317 |
| Compound Name: | 1-[(2,5-dimethylphenyl)methyl]-5-phenyl-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione |
| Molecular Weight: | 334.38 |
| Molecular Formula: | C19 H18 N4 O2 |
| Smiles: | Cc1ccc(C)c(CN2C3C(C(N(C3=O)c3ccccc3)=O)N=N2)c1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.7206 |
| logD: | 2.7205 |
| logSw: | -2.8518 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.373 |
| InChI Key: | VNSCGYUPXDFXGJ-UHFFFAOYSA-N |