1-benzyl-5-(4-methylphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Chemical Structure Depiction of
1-benzyl-5-(4-methylphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
1-benzyl-5-(4-methylphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Compound characteristics
| Compound ID: | C433-0332 |
| Compound Name: | 1-benzyl-5-(4-methylphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione |
| Molecular Weight: | 320.35 |
| Molecular Formula: | C18 H16 N4 O2 |
| Smiles: | Cc1ccc(cc1)N1C(C2C(C1=O)N(Cc1ccccc1)N=N2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.0819 |
| logD: | 2.0817 |
| logSw: | -2.4776 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.373 |
| InChI Key: | UCUYULHKBQEMBL-UHFFFAOYSA-N |