1-[2-(4-methoxyphenyl)ethyl]-5-phenyl-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Chemical Structure Depiction of
1-[2-(4-methoxyphenyl)ethyl]-5-phenyl-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
1-[2-(4-methoxyphenyl)ethyl]-5-phenyl-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Compound characteristics
| Compound ID: | C433-0331 |
| Compound Name: | 1-[2-(4-methoxyphenyl)ethyl]-5-phenyl-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: | COc1ccc(CCN2C3C(C(N(C3=O)c3ccccc3)=O)N=N2)cc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.7465 |
| logD: | 1.7456 |
| logSw: | -1.9536 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 64.895 |
| InChI Key: | CFAGGTXHLTVVRG-UHFFFAOYSA-N |