5-(4-methoxyphenyl)-1-{[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Chemical Structure Depiction of
5-(4-methoxyphenyl)-1-{[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
5-(4-methoxyphenyl)-1-{[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Compound characteristics
| Compound ID: | L108-0999 |
| Compound Name: | 5-(4-methoxyphenyl)-1-{[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione |
| Molecular Weight: | 418.41 |
| Molecular Formula: | C21 H18 N6 O4 |
| Smiles: | Cc1ccccc1c1nc(CN2C3C(C(N(C3=O)c3ccc(cc3)OC)=O)N=N2)on1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.1175 |
| logD: | 2.1174 |
| logSw: | -2.8291 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 96.259 |
| InChI Key: | NIBFFKCRGPKNBU-UHFFFAOYSA-N |