3-{2-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]-1-(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)hydrazinyl}propanenitrile
Chemical Structure Depiction of
3-{2-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]-1-(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)hydrazinyl}propanenitrile
3-{2-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]-1-(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)hydrazinyl}propanenitrile
Compound characteristics
| Compound ID: | 3904-0031 |
| Compound Name: | 3-{2-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]-1-(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)hydrazinyl}propanenitrile |
| Molecular Weight: | 463.31 |
| Molecular Formula: | C18 H15 Br N4 O4 S |
| Smiles: | COc1cc(cc(/C=N/N(CCC#N)C2c3ccccc3S(N=2)(=O)=O)c1O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 2.2529 |
| logD: | 2.2495 |
| logSw: | -2.7097 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.775 |
| InChI Key: | SAKWIGCODCHZAE-UHFFFAOYSA-N |