ethyl [(4-{2-[(2,6-dimethylphenyl)carbamothioyl]hydrazinylidene}-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)oxy]acetate
Chemical Structure Depiction of
ethyl [(4-{2-[(2,6-dimethylphenyl)carbamothioyl]hydrazinylidene}-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)oxy]acetate
ethyl [(4-{2-[(2,6-dimethylphenyl)carbamothioyl]hydrazinylidene}-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)oxy]acetate
Compound characteristics
| Compound ID: | K786-3896 |
| Compound Name: | ethyl [(4-{2-[(2,6-dimethylphenyl)carbamothioyl]hydrazinylidene}-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)oxy]acetate |
| Molecular Weight: | 455.58 |
| Molecular Formula: | C24 H29 N3 O4 S |
| Smiles: | CCOC(COc1ccc2c(c1)C(/CC(C)(C)O2)=N/NC(Nc1c(C)cccc1C)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5477 |
| logD: | 4.5253 |
| logSw: | -4.4834 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.182 |
| InChI Key: | XNLOXDSCNIZZJW-UHFFFAOYSA-N |