3-{1-(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl}propanenitrile
Chemical Structure Depiction of
3-{1-(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl}propanenitrile
3-{1-(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl}propanenitrile
Compound characteristics
| Compound ID: | 4489-8546 |
| Compound Name: | 3-{1-(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl}propanenitrile |
| Molecular Weight: | 384.41 |
| Molecular Formula: | C18 H16 N4 O4 S |
| Smiles: | COc1cccc(/C=N/N(CCC#N)C2c3ccccc3S(N=2)(=O)=O)c1O |
| Stereo: | ACHIRAL |
| logP: | 1.6051 |
| logD: | 1.6033 |
| logSw: | -2.4085 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.775 |
| InChI Key: | XDEGXUVDTCWZHA-UHFFFAOYSA-N |