5-(3-fluorophenyl)-1-{2-[5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Chemical Structure Depiction of
5-(3-fluorophenyl)-1-{2-[5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
5-(3-fluorophenyl)-1-{2-[5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Compound characteristics
| Compound ID: | 6049-0397 |
| Compound Name: | 5-(3-fluorophenyl)-1-{2-[5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione |
| Molecular Weight: | 526.53 |
| Molecular Formula: | C28 H23 F N6 O4 |
| Smiles: | COc1ccc(cc1)C1CC(c2ccccc2)=NN1C(CN1C2C(C(N(C2=O)c2cccc(c2)F)=O)N=N1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.9801 |
| logD: | 2.9799 |
| logSw: | -3.3157 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 91.537 |
| InChI Key: | ZRKNTBZKTMDLDC-UHFFFAOYSA-N |