5-[4-(propan-2-yl)phenyl]-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-(propan-2-yl)phenyl]-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-(propan-2-yl)phenyl]-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: | L108-0295 |
| Compound Name: | 5-[4-(propan-2-yl)phenyl]-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: | 484.44 |
| Molecular Formula: | C23 H19 F3 N6 O3 |
| Smiles: | CC(C)c1ccc(cc1)N1C(C2C(C1=O)N(Cc1nc(c3cccc(c3)C(F)(F)F)no1)N=N2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.2572 |
| logD: | 4.257 |
| logSw: | -4.4458 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 88.715 |
| InChI Key: | IWUWGDDHDCXHDX-UHFFFAOYSA-N |