1-(2-{(7E)-3-(2,4-dichlorophenyl)-7-[(2,4-dichlorophenyl)methylidene]-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl}-2-oxoethyl)-5-(2,3,5,6-tetrafluorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1 H,5H)-dione
Chemical Structure Depiction of
1-(2-{(7E)-3-(2,4-dichlorophenyl)-7-[(2,4-dichlorophenyl)methylidene]-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl}-2-oxoethyl)-5-(2,3,5,6-tetrafluorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1 H,5H)-dione
1-(2-{(7E)-3-(2,4-dichlorophenyl)-7-[(2,4-dichlorophenyl)methylidene]-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl}-2-oxoethyl)-5-(2,3,5,6-tetrafluorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1 H,5H)-dione
Compound characteristics
| Compound ID: | Y501-9667 |
| Compound Name: | 1-(2-{(7E)-3-(2,4-dichlorophenyl)-7-[(2,4-dichlorophenyl)methylidene]-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl}-2-oxoethyl)-5-(2,3,5,6-tetrafluorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1 H,5H)-dione |
| Molecular Weight: | 754.36 |
| Molecular Formula: | C32 H20 Cl4 F4 N6 O3 |
| Smiles: | C1CC2C(c3ccc(cc3[Cl])[Cl])N(C(CN3C4C(C(N(C4=O)c4c(c(cc(c4F)F)F)F)=O)N=N3)=O)N=C2C(\C1)=C\c1ccc(cc1[Cl])[Cl] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 8.0564 |
| logD: | 8.055 |
| logSw: | -6.8344 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 81.826 |
| InChI Key: | WFTGHKMPJJLRKZ-UHFFFAOYSA-N |