ethyl [(4-{2-[(3-methoxyphenyl)carbamothioyl]hydrazinylidene}-3,4-dihydrospiro[[1]benzopyran-2,1'-cyclohexan]-6-yl)oxy]acetate
Chemical Structure Depiction of
ethyl [(4-{2-[(3-methoxyphenyl)carbamothioyl]hydrazinylidene}-3,4-dihydrospiro[[1]benzopyran-2,1'-cyclohexan]-6-yl)oxy]acetate
ethyl [(4-{2-[(3-methoxyphenyl)carbamothioyl]hydrazinylidene}-3,4-dihydrospiro[[1]benzopyran-2,1'-cyclohexan]-6-yl)oxy]acetate
Compound characteristics
| Compound ID: | K786-0925 |
| Compound Name: | ethyl [(4-{2-[(3-methoxyphenyl)carbamothioyl]hydrazinylidene}-3,4-dihydrospiro[[1]benzopyran-2,1'-cyclohexan]-6-yl)oxy]acetate |
| Molecular Weight: | 497.61 |
| Molecular Formula: | C26 H31 N3 O5 S |
| Smiles: | CCOC(COc1ccc2c(c1)C(/CC1(CCCCC1)O2)=N/NC(Nc1cccc(c1)OC)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2408 |
| logD: | 5.2408 |
| logSw: | -4.8815 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.524 |
| InChI Key: | IHOLLMLOJJZDSU-UHFFFAOYSA-N |