propan-2-yl (2E)-2-[2-(cyanoacetyl)hydrazinylidene]-4-hydroxy-4-methyl-6-phenylcyclohexane-1-carboxylate
Chemical Structure Depiction of
propan-2-yl (2E)-2-[2-(cyanoacetyl)hydrazinylidene]-4-hydroxy-4-methyl-6-phenylcyclohexane-1-carboxylate
propan-2-yl (2E)-2-[2-(cyanoacetyl)hydrazinylidene]-4-hydroxy-4-methyl-6-phenylcyclohexane-1-carboxylate
Compound characteristics
Compound ID: | 8020-3894 |
Compound Name: | propan-2-yl (2E)-2-[2-(cyanoacetyl)hydrazinylidene]-4-hydroxy-4-methyl-6-phenylcyclohexane-1-carboxylate |
Molecular Weight: | 371.43 |
Molecular Formula: | C20 H25 N3 O4 |
Smiles: | CC(C)OC(C1C(CC(C)(C\C1=N/NC(CC#N)=O)O)c1ccccc1)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 2.3505 |
logD: | 2.3276 |
logSw: | -2.9116 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 88.19 |
InChI Key: | NDLPWJOXTYXKLK-UHFFFAOYSA-N |