5-phenyl-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-phenyl-1-{[3-(trifluoromethyl)phenyl]methyl}-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
5-phenyl-1-{[3-(trifluoromethyl)phenyl]methyl}-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Compound characteristics
| Compound ID: | C433-0318 |
| Compound Name: | 5-phenyl-1-{[3-(trifluoromethyl)phenyl]methyl}-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione |
| Molecular Weight: | 374.32 |
| Molecular Formula: | C18 H13 F3 N4 O2 |
| Smiles: | C(c1cccc(c1)C(F)(F)F)N1C2C(C(N(C2=O)c2ccccc2)=O)N=N1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.2937 |
| logD: | 2.2935 |
| logSw: | -2.7716 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.373 |
| InChI Key: | AOQZRHGGDXHOPS-UHFFFAOYSA-N |