1-[(2,5-dimethylphenyl)methyl]-5-(4-methylphenyl)-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-(4-methylphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
1-[(2,5-dimethylphenyl)methyl]-5-(4-methylphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Compound characteristics
| Compound ID: | C433-0344 |
| Compound Name: | 1-[(2,5-dimethylphenyl)methyl]-5-(4-methylphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione |
| Molecular Weight: | 348.4 |
| Molecular Formula: | C20 H20 N4 O2 |
| Smiles: | Cc1ccc(cc1)N1C(C2C(C1=O)N(Cc1cc(C)ccc1C)N=N2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.2656 |
| logD: | 3.2654 |
| logSw: | -2.941 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.373 |
| InChI Key: | CAQHXHGHCRRRRQ-UHFFFAOYSA-N |