3-{2-[(5-bromo-2-hydroxyphenyl)methylidene]-1-(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)hydrazinyl}propanenitrile
Chemical Structure Depiction of
3-{2-[(5-bromo-2-hydroxyphenyl)methylidene]-1-(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)hydrazinyl}propanenitrile
3-{2-[(5-bromo-2-hydroxyphenyl)methylidene]-1-(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)hydrazinyl}propanenitrile
Compound characteristics
| Compound ID: | 4489-8549 |
| Compound Name: | 3-{2-[(5-bromo-2-hydroxyphenyl)methylidene]-1-(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)hydrazinyl}propanenitrile |
| Molecular Weight: | 433.28 |
| Molecular Formula: | C17 H13 Br N4 O3 S |
| Smiles: | C(CN(C1c2ccccc2S(N=1)(=O)=O)/N=C/c1cc(ccc1O)[Br])C#N |
| Stereo: | ACHIRAL |
| logP: | 2.3995 |
| logD: | 2.3979 |
| logSw: | -2.7269 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.213 |
| InChI Key: | JJDYCNQTIZCCTE-UHFFFAOYSA-N |