ethyl [(4-{2-[(2-ethyl-6-methylphenyl)carbamothioyl]hydrazinylidene}-3,4-dihydrospiro[[1]benzopyran-2,1'-cyclohexan]-6-yl)oxy]acetate
Chemical Structure Depiction of
ethyl [(4-{2-[(2-ethyl-6-methylphenyl)carbamothioyl]hydrazinylidene}-3,4-dihydrospiro[[1]benzopyran-2,1'-cyclohexan]-6-yl)oxy]acetate
ethyl [(4-{2-[(2-ethyl-6-methylphenyl)carbamothioyl]hydrazinylidene}-3,4-dihydrospiro[[1]benzopyran-2,1'-cyclohexan]-6-yl)oxy]acetate
Compound characteristics
| Compound ID: | K786-0933 |
| Compound Name: | ethyl [(4-{2-[(2-ethyl-6-methylphenyl)carbamothioyl]hydrazinylidene}-3,4-dihydrospiro[[1]benzopyran-2,1'-cyclohexan]-6-yl)oxy]acetate |
| Molecular Weight: | 509.67 |
| Molecular Formula: | C28 H35 N3 O4 S |
| Smiles: | CCc1cccc(C)c1NC(N/N=C1\CC2(CCCCC2)Oc2ccc(cc12)OCC(=O)OCC)=S |
| Stereo: | ACHIRAL |
| logP: | 5.9105 |
| logD: | 5.91 |
| logSw: | -5.2478 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.585 |
| InChI Key: | YNWJHVBVMPOBRA-UHFFFAOYSA-N |