5-(4-ethylphenyl)-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-(4-ethylphenyl)-1-{[3-(trifluoromethyl)phenyl]methyl}-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
5-(4-ethylphenyl)-1-{[3-(trifluoromethyl)phenyl]methyl}-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Compound characteristics
| Compound ID: | C433-0642 |
| Compound Name: | 5-(4-ethylphenyl)-1-{[3-(trifluoromethyl)phenyl]methyl}-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione |
| Molecular Weight: | 402.37 |
| Molecular Formula: | C20 H17 F3 N4 O2 |
| Smiles: | CCc1ccc(cc1)N1C(C2C(C1=O)N(Cc1cccc(c1)C(F)(F)F)N=N2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.3459 |
| logD: | 3.3457 |
| logSw: | -3.5341 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.373 |
| InChI Key: | NMURZSRHNBTVLE-UHFFFAOYSA-N |