(2E)-N-(2,6-dimethylphenyl)-2-{6-hydroxy-2-[1-(pyridin-3-yl)ethyl]-2,3-dihydro-4H-1-benzopyran-4-ylidene}hydrazine-1-carbothioamide
Chemical Structure Depiction of
(2E)-N-(2,6-dimethylphenyl)-2-{6-hydroxy-2-[1-(pyridin-3-yl)ethyl]-2,3-dihydro-4H-1-benzopyran-4-ylidene}hydrazine-1-carbothioamide
(2E)-N-(2,6-dimethylphenyl)-2-{6-hydroxy-2-[1-(pyridin-3-yl)ethyl]-2,3-dihydro-4H-1-benzopyran-4-ylidene}hydrazine-1-carbothioamide
Compound characteristics
| Compound ID: | K786-1759 |
| Compound Name: | (2E)-N-(2,6-dimethylphenyl)-2-{6-hydroxy-2-[1-(pyridin-3-yl)ethyl]-2,3-dihydro-4H-1-benzopyran-4-ylidene}hydrazine-1-carbothioamide |
| Molecular Weight: | 446.57 |
| Molecular Formula: | C25 H26 N4 O2 S |
| Smiles: | CC(C1C\C(c2cc(ccc2O1)O)=N/NC(Nc1c(C)cccc1C)=S)c1cccnc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.8081 |
| logD: | 4.8075 |
| logSw: | -4.2708 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 63.042 |
| InChI Key: | KHZHNLYHGABBRR-UHFFFAOYSA-N |