1-(4-ethoxyphenyl)-5-[3-(methylsulfanyl)phenyl]-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Chemical Structure Depiction of
1-(4-ethoxyphenyl)-5-[3-(methylsulfanyl)phenyl]-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
1-(4-ethoxyphenyl)-5-[3-(methylsulfanyl)phenyl]-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Compound characteristics
| Compound ID: | L109-0616 |
| Compound Name: | 1-(4-ethoxyphenyl)-5-[3-(methylsulfanyl)phenyl]-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione |
| Molecular Weight: | 382.44 |
| Molecular Formula: | C19 H18 N4 O3 S |
| Smiles: | CCOc1ccc(cc1)N1C2C(C(N(C2=O)c2cccc(c2)SC)=O)N=N1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.7682 |
| logD: | 2.768 |
| logSw: | -3.1508 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.077 |
| InChI Key: | APFHFFGQHPMICI-UHFFFAOYSA-N |