5-(3,4-dimethoxyphenyl)-1-{[3-(trifluoromethyl)phenyl]methyl}-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Chemical Structure Depiction of
5-(3,4-dimethoxyphenyl)-1-{[3-(trifluoromethyl)phenyl]methyl}-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
5-(3,4-dimethoxyphenyl)-1-{[3-(trifluoromethyl)phenyl]methyl}-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Compound characteristics
| Compound ID: | C433-0615 |
| Compound Name: | 5-(3,4-dimethoxyphenyl)-1-{[3-(trifluoromethyl)phenyl]methyl}-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione |
| Molecular Weight: | 434.37 |
| Molecular Formula: | C20 H17 F3 N4 O4 |
| Smiles: | COc1ccc(cc1OC)N1C(C2C(C1=O)N(Cc1cccc(c1)C(F)(F)F)N=N2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.0729 |
| logD: | 2.0727 |
| logSw: | -2.661 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 72.633 |
| InChI Key: | AQGWGWQWEHDRKD-UHFFFAOYSA-N |