4-{[2-(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)hydrazinylidene]methyl}-2-methoxyphenyl benzoate
Chemical Structure Depiction of
4-{[2-(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)hydrazinylidene]methyl}-2-methoxyphenyl benzoate
4-{[2-(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)hydrazinylidene]methyl}-2-methoxyphenyl benzoate
Compound characteristics
| Compound ID: | 2004-0005 |
| Compound Name: | 4-{[2-(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)hydrazinylidene]methyl}-2-methoxyphenyl benzoate |
| Molecular Weight: | 435.46 |
| Molecular Formula: | C22 H17 N3 O5 S |
| Smiles: | COc1cc(/C=N/NC2c3ccccc3S(N=2)(=O)=O)ccc1OC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3066 |
| logD: | 3.0909 |
| logSw: | -3.8874 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.164 |
| InChI Key: | NRKXAFUJQFOMQI-UHFFFAOYSA-N |