5-(4-ethoxyphenyl)-1-({3-[3-(trifluoromethyl)phenyl]-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-ethoxyphenyl)-1-({3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
5-(4-ethoxyphenyl)-1-({3-[3-(trifluoromethyl)phenyl]-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: | L108-1070 |
| Compound Name: | 5-(4-ethoxyphenyl)-1-({3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione |
| Molecular Weight: | 486.41 |
| Molecular Formula: | C22 H17 F3 N6 O4 |
| Smiles: | CCOc1ccc(cc1)N1C(C2C(C1=O)N(Cc1nc(c3cccc(c3)C(F)(F)F)no1)N=N2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.2879 |
| logD: | 3.2878 |
| logSw: | -3.5704 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 95.839 |
| InChI Key: | YDWPBVCEEGASAL-UHFFFAOYSA-N |