1-(2-{(7E)-3-(4-ethoxyphenyl)-7-[(4-ethoxyphenyl)methylidene]-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl}-2-oxoethyl)-5-phenyl-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Chemical Structure Depiction of
1-(2-{(7E)-3-(4-ethoxyphenyl)-7-[(4-ethoxyphenyl)methylidene]-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl}-2-oxoethyl)-5-phenyl-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
1-(2-{(7E)-3-(4-ethoxyphenyl)-7-[(4-ethoxyphenyl)methylidene]-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl}-2-oxoethyl)-5-phenyl-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Compound characteristics
| Compound ID: | Y501-9679 |
| Compound Name: | 1-(2-{(7E)-3-(4-ethoxyphenyl)-7-[(4-ethoxyphenyl)methylidene]-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl}-2-oxoethyl)-5-phenyl-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione |
| Molecular Weight: | 632.72 |
| Molecular Formula: | C36 H36 N6 O5 |
| Smiles: | CCOc1ccc(\C=C2/CCCC3C(c4ccc(cc4)OCC)N(C(CN4C5C(C(N(C5=O)c5ccccc5)=O)N=N4)=O)N=C23)cc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.0792 |
| logD: | 5.0792 |
| logSw: | -4.7773 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 96.675 |
| InChI Key: | KIUZNQOLRANPCB-UHFFFAOYSA-N |