di(propan-2-yl) (6E)-4-hydroxy-4-methyl-6-[2-(4-methylbenzene-1-sulfonyl)hydrazinylidene]-2-phenylcyclohexane-1,3-dicarboxylate
Chemical Structure Depiction of
di(propan-2-yl) (6E)-4-hydroxy-4-methyl-6-[2-(4-methylbenzene-1-sulfonyl)hydrazinylidene]-2-phenylcyclohexane-1,3-dicarboxylate
di(propan-2-yl) (6E)-4-hydroxy-4-methyl-6-[2-(4-methylbenzene-1-sulfonyl)hydrazinylidene]-2-phenylcyclohexane-1,3-dicarboxylate
Compound characteristics
| Compound ID: | 8019-5621 |
| Compound Name: | di(propan-2-yl) (6E)-4-hydroxy-4-methyl-6-[2-(4-methylbenzene-1-sulfonyl)hydrazinylidene]-2-phenylcyclohexane-1,3-dicarboxylate |
| Molecular Weight: | 544.67 |
| Molecular Formula: | C28 H36 N2 O7 S |
| Smiles: | CC(C)OC(C1C(C(C(=O)OC(C)C)C(C)(C\C1=N/NS(c1ccc(C)cc1)(=O)=O)O)c1ccccc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.9663 |
| logD: | 3.3186 |
| logSw: | -4.5647 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 106.241 |
| InChI Key: | XCZXVTOPRQWHIW-UHFFFAOYSA-N |