1-[2-(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)-2-oxoethyl]-5-(2,3,5,6-tetrafluorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Chemical Structure Depiction of
1-[2-(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)-2-oxoethyl]-5-(2,3,5,6-tetrafluorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
1-[2-(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)-2-oxoethyl]-5-(2,3,5,6-tetrafluorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Compound characteristics
| Compound ID: | Y501-8953 |
| Compound Name: | 1-[2-(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)-2-oxoethyl]-5-(2,3,5,6-tetrafluorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione |
| Molecular Weight: | 550.47 |
| Molecular Formula: | C27 H18 F4 N6 O3 |
| Smiles: | C1C(c2ccccc2)N(C(CN2C3C(C(N(C3=O)c3c(c(cc(c3F)F)F)F)=O)N=N2)=O)N=C1c1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.6947 |
| logD: | 3.6933 |
| logSw: | -4.2069 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 83.391 |
| InChI Key: | GZUCNTPLJFNDCK-UHFFFAOYSA-N |