ethyl {[2-methyl-2-(pyridin-3-yl)-4-{2-[(2,4,6-trimethylphenyl)carbamothioyl]hydrazinylidene}-3,4-dihydro-2H-1-benzopyran-6-yl]oxy}acetate
Chemical Structure Depiction of
ethyl {[2-methyl-2-(pyridin-3-yl)-4-{2-[(2,4,6-trimethylphenyl)carbamothioyl]hydrazinylidene}-3,4-dihydro-2H-1-benzopyran-6-yl]oxy}acetate
ethyl {[2-methyl-2-(pyridin-3-yl)-4-{2-[(2,4,6-trimethylphenyl)carbamothioyl]hydrazinylidene}-3,4-dihydro-2H-1-benzopyran-6-yl]oxy}acetate
Compound characteristics
| Compound ID: | K786-4409 |
| Compound Name: | ethyl {[2-methyl-2-(pyridin-3-yl)-4-{2-[(2,4,6-trimethylphenyl)carbamothioyl]hydrazinylidene}-3,4-dihydro-2H-1-benzopyran-6-yl]oxy}acetate |
| Molecular Weight: | 532.66 |
| Molecular Formula: | C29 H32 N4 O4 S |
| Smiles: | CCOC(COc1ccc2c(c1)C(/CC(C)(c1cccnc1)O2)=N/NC(Nc1c(C)cc(C)cc1C)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9398 |
| logD: | 4.9385 |
| logSw: | -4.4055 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.381 |
| InChI Key: | NUYJJRIZFXKBID-LJAQVGFWSA-N |