1-{[3-(3,4-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-5-(3-methoxyphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Chemical Structure Depiction of
1-{[3-(3,4-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-5-(3-methoxyphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
1-{[3-(3,4-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-5-(3-methoxyphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Compound characteristics
| Compound ID: | L108-0238 |
| Compound Name: | 1-{[3-(3,4-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-5-(3-methoxyphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione |
| Molecular Weight: | 432.44 |
| Molecular Formula: | C22 H20 N6 O4 |
| Smiles: | Cc1ccc(cc1C)c1nc(CN2C3C(C(N(C3=O)c3cccc(c3)OC)=O)N=N2)on1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.2653 |
| logD: | 3.2652 |
| logSw: | -3.1762 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 96.259 |
| InChI Key: | BLEYRPWDQPMCOZ-UHFFFAOYSA-N |