ethyl {[4-{2-[(4-methoxyphenyl)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-[(4-methoxyphenyl)carbamothioyl]hydrazinylidene}-2-methyl-2-(pyridin-3-yl)-3,4-dihydro-2H-1-benzopyran-6-yl]oxy}acetate
ethyl {[4-{2-[(4-methoxyphenyl)carbamothioyl]hydrazinylidene}-2-methyl-2-(pyridin-3-yl)-3,4-dihydro-2H-1-benzopyran-6-yl]oxy}acetate
Compound characteristics
| Compound ID: | K786-4398 |
| Compound Name: | ethyl {[4-{2-[(4-methoxyphenyl)carbamothioyl]hydrazinylidene}-2-methyl-2-(pyridin-3-yl)-3,4-dihydro-2H-1-benzopyran-6-yl]oxy}acetate |
| Molecular Weight: | 520.61 |
| Molecular Formula: | C27 H28 N4 O5 S |
| Smiles: | CCOC(COc1ccc2c(c1)C(/CC(C)(c1cccnc1)O2)=N/NC(Nc1ccc(cc1)OC)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3415 |
| logD: | 4.3413 |
| logSw: | -4.2204 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.32 |
| InChI Key: | NDYZRJHBEGYBGS-MHZLTWQESA-N |