ethyl {[4-{2-[(2,4-dimethylphenyl)carbamothioyl]hydrazinylidene}-2-methyl-2-(pyridin-3-yl)-3,4-dihydro-2H-1-benzopyran-6-yl]oxy}acetate
Chemical Structure Depiction of
ethyl {[4-{2-[(2,4-dimethylphenyl)carbamothioyl]hydrazinylidene}-2-methyl-2-(pyridin-3-yl)-3,4-dihydro-2H-1-benzopyran-6-yl]oxy}acetate
ethyl {[4-{2-[(2,4-dimethylphenyl)carbamothioyl]hydrazinylidene}-2-methyl-2-(pyridin-3-yl)-3,4-dihydro-2H-1-benzopyran-6-yl]oxy}acetate
Compound characteristics
| Compound ID: | K786-4403 |
| Compound Name: | ethyl {[4-{2-[(2,4-dimethylphenyl)carbamothioyl]hydrazinylidene}-2-methyl-2-(pyridin-3-yl)-3,4-dihydro-2H-1-benzopyran-6-yl]oxy}acetate |
| Molecular Weight: | 518.63 |
| Molecular Formula: | C28 H30 N4 O4 S |
| Smiles: | CCOC(COc1ccc2c(c1)C(/CC(C)(c1cccnc1)O2)=N/NC(Nc1ccc(C)cc1C)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.083 |
| logD: | 5.0827 |
| logSw: | -4.5605 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.078 |
| InChI Key: | SHIAGQKZNOQQSN-NDEPHWFRSA-N |