5-(3,4-dimethylphenyl)-1-{[3-(4-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-(3,4-dimethylphenyl)-1-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
5-(3,4-dimethylphenyl)-1-{[3-(4-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: | L108-0560 |
| Compound Name: | 5-(3,4-dimethylphenyl)-1-{[3-(4-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: | 416.44 |
| Molecular Formula: | C22 H20 N6 O3 |
| Smiles: | Cc1ccc(cc1)c1nc(CN2C3C(C(N(C3=O)c3ccc(C)c(C)c3)=O)N=N2)on1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.6732 |
| logD: | 3.6731 |
| logSw: | -3.7239 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 88.715 |
| InChI Key: | VATKVPBORYPHSU-UHFFFAOYSA-N |