1-{[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}-5-(3-chloro-4-methylphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Chemical Structure Depiction of
1-{[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}-5-(3-chloro-4-methylphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
1-{[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}-5-(3-chloro-4-methylphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Compound characteristics
| Compound ID: | L108-0158 |
| Compound Name: | 1-{[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}-5-(3-chloro-4-methylphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione |
| Molecular Weight: | 466.84 |
| Molecular Formula: | C21 H15 Cl N6 O5 |
| Smiles: | Cc1ccc(cc1[Cl])N1C(C2C(C1=O)N(Cc1nc(c3ccc4c(c3)OCO4)no1)N=N2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.2928 |
| logD: | 3.2925 |
| logSw: | -3.5595 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 105.831 |
| InChI Key: | WWJKJULGRIVEIR-UHFFFAOYSA-N |