1-(4-ethoxyphenyl)-5-(4-methylphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Chemical Structure Depiction of
1-(4-ethoxyphenyl)-5-(4-methylphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
1-(4-ethoxyphenyl)-5-(4-methylphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Compound characteristics
| Compound ID: | L109-0076 |
| Compound Name: | 1-(4-ethoxyphenyl)-5-(4-methylphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione |
| Molecular Weight: | 350.38 |
| Molecular Formula: | C19 H18 N4 O3 |
| Smiles: | CCOc1ccc(cc1)N1C2C(C(N(C2=O)c2ccc(C)cc2)=O)N=N1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.7633 |
| logD: | 2.7631 |
| logSw: | -2.7763 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 63.077 |
| InChI Key: | RNPJXVASVLJZKQ-UHFFFAOYSA-N |