diethyl 1-(2-{(7E)-3-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methylidene]-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl}-2-oxoethyl)-1H-1,2,3-triazole-4,5-dicarboxylate
Chemical Structure Depiction of
diethyl 1-(2-{(7E)-3-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methylidene]-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl}-2-oxoethyl)-1H-1,2,3-triazole-4,5-dicarboxylate
diethyl 1-(2-{(7E)-3-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methylidene]-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl}-2-oxoethyl)-1H-1,2,3-triazole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | Y501-7370 |
| Compound Name: | diethyl 1-(2-{(7E)-3-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methylidene]-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl}-2-oxoethyl)-1H-1,2,3-triazole-4,5-dicarboxylate |
| Molecular Weight: | 601.66 |
| Molecular Formula: | C32 H35 N5 O7 |
| Smiles: | CCOC(c1c(C(=O)OCC)n(CC(N2C(C3CCC/C(=C\c4ccc(cc4)OC)C3=N2)c2ccc(cc2)OC)=O)nn1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.7695 |
| logD: | 4.7695 |
| logSw: | -4.4893 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 107.624 |
| InChI Key: | IUJKADGPHRRBCP-UHFFFAOYSA-N |