ethyl [(4-{2-[(3,4-dimethylphenyl)carbamothioyl]hydrazinylidene}-3,4-dihydrospiro[[1]benzopyran-2,1'-cyclohexan]-6-yl)oxy]acetate
Chemical Structure Depiction of
ethyl [(4-{2-[(3,4-dimethylphenyl)carbamothioyl]hydrazinylidene}-3,4-dihydrospiro[[1]benzopyran-2,1'-cyclohexan]-6-yl)oxy]acetate
ethyl [(4-{2-[(3,4-dimethylphenyl)carbamothioyl]hydrazinylidene}-3,4-dihydrospiro[[1]benzopyran-2,1'-cyclohexan]-6-yl)oxy]acetate
Compound characteristics
| Compound ID: | K786-0924 |
| Compound Name: | ethyl [(4-{2-[(3,4-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(Nc1ccc(C)c(C)c1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1618 |
| logD: | 6.1618 |
| logSw: | -5.2733 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.981 |
| InChI Key: | PIUJZETUKDYWPG-UHFFFAOYSA-N |