1-(2-{3-[4-(difluoromethoxy)phenyl]-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl}-2-oxoethyl)-5-(3-fluorophenyl)-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-(3-fluorophenyl)-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-(3-fluorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Compound characteristics
| Compound ID: | Y508-4370 |
| Compound Name: | 1-(2-{3-[4-(difluoromethoxy)phenyl]-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl}-2-oxoethyl)-5-(3-fluorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione |
| Molecular Weight: | 562.51 |
| Molecular Formula: | C28 H21 F3 N6 O4 |
| Smiles: | C1C(c2ccccc2)N(C(CN2C3C(C(N(C3=O)c3cccc(c3)F)=O)N=N2)=O)N=C1c1ccc(cc1)OC(F)F |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.1924 |
| logD: | 3.1922 |
| logSw: | -3.3576 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 90.598 |
| InChI Key: | DQNXPMQGXQXEKY-UHFFFAOYSA-N |