1-{2-[3-(4-bromophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-5-(pentafluorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Chemical Structure Depiction of
1-{2-[3-(4-bromophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-5-(pentafluorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
1-{2-[3-(4-bromophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-5-(pentafluorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Compound characteristics
| Compound ID: | Y501-9656 |
| Compound Name: | 1-{2-[3-(4-bromophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-5-(pentafluorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione |
| Molecular Weight: | 647.36 |
| Molecular Formula: | C27 H16 Br F5 N6 O3 |
| Smiles: | C1C(c2ccccc2)N(C(CN2C3C(C(N(C3=O)c3c(c(c(c(c3F)F)F)F)F)=O)N=N2)=O)N=C1c1ccc(cc1)[Br] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.7929 |
| logD: | 4.7915 |
| logSw: | -5.0081 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 83.391 |
| InChI Key: | HOIKECWWQGNFEP-UHFFFAOYSA-N |