1-(2-{(7E)-3-(4-ethoxyphenyl)-7-[(4-ethoxyphenyl)methylidene]-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl}-2-oxoethyl)-5-(2-methoxyphenyl)-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-(2-methoxyphenyl)-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-(2-methoxyphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Compound characteristics
| Compound ID: | Y501-9676 |
| 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-(2-methoxyphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione |
| Molecular Weight: | 662.75 |
| Molecular Formula: | C37 H38 N6 O6 |
| Smiles: | CCOc1ccc(\C=C2/CCCC3C(c4ccc(cc4)OCC)N(C(CN4C5C(C(N(C5=O)c5ccccc5OC)=O)N=N4)=O)N=C23)cc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.0601 |
| logD: | 5.0601 |
| logSw: | -4.5354 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 104.004 |
| InChI Key: | UPQOTHSFPURJNB-UHFFFAOYSA-N |