1-(3,5-dimethoxyphenyl)-5-(3-fluoro-4-methylphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Chemical Structure Depiction of
1-(3,5-dimethoxyphenyl)-5-(3-fluoro-4-methylphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
1-(3,5-dimethoxyphenyl)-5-(3-fluoro-4-methylphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Compound characteristics
| Compound ID: | L109-0308 |
| Compound Name: | 1-(3,5-dimethoxyphenyl)-5-(3-fluoro-4-methylphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione |
| Molecular Weight: | 384.37 |
| Molecular Formula: | C19 H17 F N4 O4 |
| Smiles: | Cc1ccc(cc1F)N1C(C2C(C1=O)N(c1cc(cc(c1)OC)OC)N=N2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.9588 |
| logD: | 2.9583 |
| logSw: | -3.1187 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 71.041 |
| InChI Key: | XYLVGSUPRTWEDO-UHFFFAOYSA-N |