3-{2-[(2,3-dihydroxyphenyl)methylidene]-1-(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)hydrazinyl}propanenitrile
Chemical Structure Depiction of
3-{2-[(2,3-dihydroxyphenyl)methylidene]-1-(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)hydrazinyl}propanenitrile
3-{2-[(2,3-dihydroxyphenyl)methylidene]-1-(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)hydrazinyl}propanenitrile
Compound characteristics
| Compound ID: | 5097-4508 |
| Compound Name: | 3-{2-[(2,3-dihydroxyphenyl)methylidene]-1-(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)hydrazinyl}propanenitrile |
| Molecular Weight: | 370.38 |
| Molecular Formula: | C17 H14 N4 O4 S |
| Smiles: | C(CN(C1c2ccccc2S(N=1)(=O)=O)/N=C/c1cccc(c1O)O)C#N |
| Stereo: | ACHIRAL |
| logP: | 1.3081 |
| logD: | 1.305 |
| logSw: | -2.1957 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.692 |
| InChI Key: | HVUBFAZBFQFTKR-UHFFFAOYSA-N |