5-(3-fluoro-4-methylphenyl)-1-phenyl-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Chemical Structure Depiction of
5-(3-fluoro-4-methylphenyl)-1-phenyl-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
5-(3-fluoro-4-methylphenyl)-1-phenyl-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Compound characteristics
Compound ID: | L109-0271 |
Compound Name: | 5-(3-fluoro-4-methylphenyl)-1-phenyl-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione |
Molecular Weight: | 324.31 |
Molecular Formula: | C17 H13 F N4 O2 |
Smiles: | Cc1ccc(cc1F)N1C(C2C(C1=O)N(c1ccccc1)N=N2)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 2.5106 |
logD: | 2.51 |
logSw: | -2.644 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 55.953 |
InChI Key: | UPYZECDLKVFZSH-UHFFFAOYSA-N |