ethyl [(4-{2-[(4-methoxyphenyl)carbamothioyl]hydrazinylidene}-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)oxy]acetate
Chemical Structure Depiction of
ethyl [(4-{2-[(4-methoxyphenyl)carbamothioyl]hydrazinylidene}-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)oxy]acetate
ethyl [(4-{2-[(4-methoxyphenyl)carbamothioyl]hydrazinylidene}-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)oxy]acetate
Compound characteristics
| Compound ID: | K786-3885 |
| Compound Name: | ethyl [(4-{2-[(4-methoxyphenyl)carbamothioyl]hydrazinylidene}-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)oxy]acetate |
| Molecular Weight: | 457.55 |
| Molecular Formula: | C23 H27 N3 O5 S |
| Smiles: | CCOC(COc1ccc2c(c1)C(/CC(C)(C)O2)=N/NC(Nc1ccc(cc1)OC)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.278 |
| logD: | 4.2769 |
| logSw: | -4.4791 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.121 |
| InChI Key: | XONPPAKBKAPPEP-UHFFFAOYSA-N |