5-(4-ethylphenyl)-1-(4-fluorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Chemical Structure Depiction of
5-(4-ethylphenyl)-1-(4-fluorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
5-(4-ethylphenyl)-1-(4-fluorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Compound characteristics
Compound ID: | L109-0096 |
Compound Name: | 5-(4-ethylphenyl)-1-(4-fluorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione |
Molecular Weight: | 338.34 |
Molecular Formula: | C18 H15 F N4 O2 |
Smiles: | CCc1ccc(cc1)N1C(C2C(C1=O)N(c1ccc(cc1)F)N=N2)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 2.9307 |
logD: | 2.9302 |
logSw: | -3.0832 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 55.953 |
InChI Key: | HESAHRZITPKGOZ-UHFFFAOYSA-N |