ethyl [(4-{2-[(4-chloro-2-methoxy-5-methylphenyl)carbamothioyl]hydrazinylidene}-3,4-dihydrospiro[[1]benzopyran-2,1'-cyclohexan]-6-yl)oxy]acetate
Chemical Structure Depiction of
ethyl [(4-{2-[(4-chloro-2-methoxy-5-methylphenyl)carbamothioyl]hydrazinylidene}-3,4-dihydrospiro[[1]benzopyran-2,1'-cyclohexan]-6-yl)oxy]acetate
ethyl [(4-{2-[(4-chloro-2-methoxy-5-methylphenyl)carbamothioyl]hydrazinylidene}-3,4-dihydrospiro[[1]benzopyran-2,1'-cyclohexan]-6-yl)oxy]acetate
Compound characteristics
| Compound ID: | K786-0923 |
| Compound Name: | ethyl [(4-{2-[(4-chloro-2-methoxy-5-methylphenyl)carbamothioyl]hydrazinylidene}-3,4-dihydrospiro[[1]benzopyran-2,1'-cyclohexan]-6-yl)oxy]acetate |
| Molecular Weight: | 546.09 |
| Molecular Formula: | C27 H32 Cl N3 O5 S |
| Smiles: | CCOC(COc1ccc2c(c1)C(/CC1(CCCCC1)O2)=N/NC(Nc1cc(C)c(cc1OC)[Cl])=S)=O |
| Stereo: | ACHIRAL |
| logP: | 6.3666 |
| logD: | 6.3665 |
| logSw: | -6.1914 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.913 |
| InChI Key: | LNXWNEKNAQSBOV-UHFFFAOYSA-N |