3-{2-[(3-chloro-5-ethoxy-4-hydroxyphenyl)methylidene]-1-(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)hydrazinyl}propanenitrile
Chemical Structure Depiction of
3-{2-[(3-chloro-5-ethoxy-4-hydroxyphenyl)methylidene]-1-(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)hydrazinyl}propanenitrile
3-{2-[(3-chloro-5-ethoxy-4-hydroxyphenyl)methylidene]-1-(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)hydrazinyl}propanenitrile
Compound characteristics
| Compound ID: | 2668-0011 |
| Compound Name: | 3-{2-[(3-chloro-5-ethoxy-4-hydroxyphenyl)methylidene]-1-(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)hydrazinyl}propanenitrile |
| Molecular Weight: | 432.88 |
| Molecular Formula: | C19 H17 Cl N4 O4 S |
| Smiles: | CCOc1cc(/C=N/N(CCC#N)C2c3ccccc3S(N=2)(=O)=O)cc(c1O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.7394 |
| logD: | 2.7148 |
| logSw: | -3.4017 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.354 |
| InChI Key: | KMFDNOGBADFVIY-UHFFFAOYSA-N |