1-[(2,5-dimethylphenyl)methyl]-5-(4-ethoxyphenyl)-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-ethoxyphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
1-[(2,5-dimethylphenyl)methyl]-5-(4-ethoxyphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Compound characteristics
| Compound ID: | C433-0452 |
| Compound Name: | 1-[(2,5-dimethylphenyl)methyl]-5-(4-ethoxyphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione |
| Molecular Weight: | 378.43 |
| Molecular Formula: | C21 H22 N4 O3 |
| Smiles: | CCOc1ccc(cc1)N1C(C2C(C1=O)N(Cc1cc(C)ccc1C)N=N2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.2112 |
| logD: | 3.211 |
| logSw: | -2.9707 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 64.496 |
| InChI Key: | WLYKRQPYXANLHV-UHFFFAOYSA-N |