5-(4-ethylphenyl)-1-phenyl-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Chemical Structure Depiction of
5-(4-ethylphenyl)-1-phenyl-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
5-(4-ethylphenyl)-1-phenyl-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Compound characteristics
| Compound ID: | L109-0091 |
| Compound Name: | 5-(4-ethylphenyl)-1-phenyl-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: | CCc1ccc(cc1)N1C(C2C(C1=O)N(c1ccccc1)N=N2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.7801 |
| logD: | 2.7799 |
| logSw: | -2.9016 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.953 |
| InChI Key: | KYSYCUKZVAXRIT-UHFFFAOYSA-N |