1-[2-(3,5-diphenyl-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-(3,5-diphenyl-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-(3,5-diphenyl-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: | Y501-8958 |
| Compound Name: | 1-[2-(3,5-diphenyl-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: | 568.46 |
| Molecular Formula: | C27 H17 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=C1c1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.8539 |
| logD: | 3.8525 |
| logSw: | -4.1581 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 83.391 |
| InChI Key: | WDLIANJPJMPVOI-UHFFFAOYSA-N |