5-(2H-1,3-benzodioxol-5-yl)-1-{[3-(2H-1,3-benzodioxol-5-yl)-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-(2H-1,3-benzodioxol-5-yl)-1-{[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
5-(2H-1,3-benzodioxol-5-yl)-1-{[3-(2H-1,3-benzodioxol-5-yl)-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: | L108-0654 |
| Compound Name: | 5-(2H-1,3-benzodioxol-5-yl)-1-{[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione |
| Molecular Weight: | 462.38 |
| Molecular Formula: | C21 H14 N6 O7 |
| Smiles: | C(c1nc(c2ccc3c(c2)OCO3)no1)N1C2C(C(N(C2=O)c2ccc3c(c2)OCO3)=O)N=N1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.9938 |
| logD: | 1.9937 |
| logSw: | -2.7477 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 122.947 |
| InChI Key: | VXYALICJXDDGIB-UHFFFAOYSA-N |