3-{2-[(3,4-dimethoxyphenyl)methylidene]-1-(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)hydrazinyl}propanenitrile
Chemical Structure Depiction of
3-{2-[(3,4-dimethoxyphenyl)methylidene]-1-(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)hydrazinyl}propanenitrile
3-{2-[(3,4-dimethoxyphenyl)methylidene]-1-(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)hydrazinyl}propanenitrile
Compound characteristics
| Compound ID: | 2231-0006 |
| Compound Name: | 3-{2-[(3,4-dimethoxyphenyl)methylidene]-1-(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)hydrazinyl}propanenitrile |
| Molecular Weight: | 398.44 |
| Molecular Formula: | C19 H18 N4 O4 S |
| Smiles: | COc1ccc(/C=N/N(CCC#N)C2c3ccccc3S(N=2)(=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 1.3558 |
| logD: | 1.3558 |
| logSw: | -2.2574 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 83.926 |
| InChI Key: | IRLIPGMOOMHXTK-UHFFFAOYSA-N |