1-{[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-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-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-5-(3-fluoro-4-methylphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
1-{[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-5-(3-fluoro-4-methylphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Compound characteristics
| Compound ID: | L108-0201 |
| Compound Name: | 1-{[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-5-(3-fluoro-4-methylphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione |
| Molecular Weight: | 466.43 |
| Molecular Formula: | C22 H19 F N6 O5 |
| Smiles: | Cc1ccc(cc1F)N1C(C2C(C1=O)N(Cc1nc(c3ccc(cc3OC)OC)no1)N=N2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.5116 |
| logD: | 2.5113 |
| logSw: | -2.8662 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 103.89 |
| InChI Key: | JQWJIKAROOMPPW-UHFFFAOYSA-N |