1-(2-{3-[4-(difluoromethoxy)phenyl]-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl}-2-oxoethyl)-5-(4-methylphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Chemical Structure Depiction of
1-(2-{3-[4-(difluoromethoxy)phenyl]-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl}-2-oxoethyl)-5-(4-methylphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
1-(2-{3-[4-(difluoromethoxy)phenyl]-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl}-2-oxoethyl)-5-(4-methylphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Compound characteristics
| Compound ID: | Y508-4366 |
| Compound Name: | 1-(2-{3-[4-(difluoromethoxy)phenyl]-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl}-2-oxoethyl)-5-(4-methylphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione |
| Molecular Weight: | 558.54 |
| Molecular Formula: | C29 H24 F2 N6 O4 |
| Smiles: | Cc1ccc(cc1)N1C(C2C(C1=O)N(CC(N1C(CC(c3ccc(cc3)OC(F)F)=N1)c1ccccc1)=O)N=N2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.5403 |
| logD: | 3.5402 |
| logSw: | -3.4639 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 90.598 |
| InChI Key: | BRDGISOGVSROAO-UHFFFAOYSA-N |