5-(3,4-difluorophenyl)-1-{[3-(2,4-dimethoxyphenyl)-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-difluorophenyl)-1-{[3-(2,4-dimethoxyphenyl)-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-difluorophenyl)-1-{[3-(2,4-dimethoxyphenyl)-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: | L108-0697 |
Compound Name: | 5-(3,4-difluorophenyl)-1-{[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione |
Molecular Weight: | 470.39 |
Molecular Formula: | C21 H16 F2 N6 O5 |
Smiles: | COc1ccc(c(c1)OC)c1nc(CN2C3C(C(N(C3=O)c3ccc(c(c3)F)F)=O)N=N2)on1 |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 2.2185 |
logD: | 2.2182 |
logSw: | -2.923 |
Hydrogen bond acceptors count: | 11 |
Polar surface area: | 103.89 |
InChI Key: | RBPSDZAAVKSKKC-UHFFFAOYSA-N |