ethyl [(4-{2-[(2,6-dimethylphenyl)carbamothioyl]hydrazinylidene}-3,4-dihydrospiro[[1]benzopyran-2,1'-cyclohexan]-6-yl)oxy]acetate
Chemical Structure Depiction of
ethyl [(4-{2-[(2,6-dimethylphenyl)carbamothioyl]hydrazinylidene}-3,4-dihydrospiro[[1]benzopyran-2,1'-cyclohexan]-6-yl)oxy]acetate
ethyl [(4-{2-[(2,6-dimethylphenyl)carbamothioyl]hydrazinylidene}-3,4-dihydrospiro[[1]benzopyran-2,1'-cyclohexan]-6-yl)oxy]acetate
Compound characteristics
Compound ID: | K786-0935 |
Compound Name: | ethyl [(4-{2-[(2,6-dimethylphenyl)carbamothioyl]hydrazinylidene}-3,4-dihydrospiro[[1]benzopyran-2,1'-cyclohexan]-6-yl)oxy]acetate |
Molecular Weight: | 495.64 |
Molecular Formula: | C27 H33 N3 O4 S |
Smiles: | CCOC(COc1ccc2c(c1)C(/CC1(CCCCC1)O2)=N/NC(Nc1c(C)cccc1C)=S)=O |
Stereo: | ACHIRAL |
logP: | 5.4265 |
logD: | 5.426 |
logSw: | -5.1795 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 62.585 |
InChI Key: | DTVJAYLTWYNUOU-UHFFFAOYSA-N |