3-{1-(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)-2-[(2-methoxyphenyl)methylidene]hydrazinyl}propanenitrile
Chemical Structure Depiction of
3-{1-(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)-2-[(2-methoxyphenyl)methylidene]hydrazinyl}propanenitrile
3-{1-(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)-2-[(2-methoxyphenyl)methylidene]hydrazinyl}propanenitrile
Compound characteristics
| Compound ID: | 4994-0486 |
| Compound Name: | 3-{1-(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)-2-[(2-methoxyphenyl)methylidene]hydrazinyl}propanenitrile |
| Molecular Weight: | 368.41 |
| Molecular Formula: | C18 H16 N4 O3 S |
| Smiles: | COc1ccccc1/C=N/N(CCC#N)C1c2ccccc2S(N=1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9891 |
| logD: | 1.9891 |
| logSw: | -2.6126 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 76.295 |
| InChI Key: | GQMUBSLAJBIERX-UHFFFAOYSA-N |