diethyl 1-(2-{(7E)-3-(4-methylphenyl)-7-[(4-methylphenyl)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-methylphenyl)-7-[(4-methylphenyl)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-methylphenyl)-7-[(4-methylphenyl)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: | 6049-0422 |
| Compound Name: | diethyl 1-(2-{(7E)-3-(4-methylphenyl)-7-[(4-methylphenyl)methylidene]-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl}-2-oxoethyl)-1H-1,2,3-triazole-4,5-dicarboxylate |
| Molecular Weight: | 569.66 |
| Molecular Formula: | C32 H35 N5 O5 |
| Smiles: | CCOC(c1c(C(=O)OCC)n(CC(N2C(C3CCC/C(=C\c4ccc(C)cc4)C3=N2)c2ccc(C)cc2)=O)nn1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.6515 |
| logD: | 5.6515 |
| logSw: | -5.3435 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 92.537 |
| InChI Key: | PSXNFYLNHSUHMF-UHFFFAOYSA-N |