ethyl {[4-{2-[(2,6-diethylphenyl)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-[(2,6-diethylphenyl)carbamothioyl]hydrazinylidene}-2-methyl-2-(pyridin-3-yl)-3,4-dihydro-2H-1-benzopyran-6-yl]oxy}acetate
ethyl {[4-{2-[(2,6-diethylphenyl)carbamothioyl]hydrazinylidene}-2-methyl-2-(pyridin-3-yl)-3,4-dihydro-2H-1-benzopyran-6-yl]oxy}acetate
Compound characteristics
| Compound ID: | K786-4399 |
| Compound Name: | ethyl {[4-{2-[(2,6-diethylphenyl)carbamothioyl]hydrazinylidene}-2-methyl-2-(pyridin-3-yl)-3,4-dihydro-2H-1-benzopyran-6-yl]oxy}acetate |
| Molecular Weight: | 546.69 |
| Molecular Formula: | C30 H34 N4 O4 S |
| Smiles: | CCc1cccc(CC)c1NC(N/N=C1\CC(C)(c2cccnc2)Oc2ccc(cc12)OCC(=O)OCC)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4884 |
| logD: | 5.4871 |
| logSw: | -5.1498 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.381 |
| InChI Key: | KHSXQCUEINRRTQ-PMERELPUSA-N |