4-{[2-(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)-2-(2-hydroxyethyl)hydrazinylidene]methyl}-2-methoxyphenyl acetate
Chemical Structure Depiction of
4-{[2-(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)-2-(2-hydroxyethyl)hydrazinylidene]methyl}-2-methoxyphenyl acetate
4-{[2-(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)-2-(2-hydroxyethyl)hydrazinylidene]methyl}-2-methoxyphenyl acetate
Compound characteristics
| Compound ID: | 4772-0493 |
| Compound Name: | 4-{[2-(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)-2-(2-hydroxyethyl)hydrazinylidene]methyl}-2-methoxyphenyl acetate |
| Molecular Weight: | 417.44 |
| Molecular Formula: | C19 H19 N3 O6 S |
| Smiles: | CC(=O)Oc1ccc(/C=N/N(CCO)C2c3ccccc3S(N=2)(=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 0.9719 |
| logD: | 0.9719 |
| logSw: | -2.3121 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.297 |
| InChI Key: | RARNPXZLAFLABS-UHFFFAOYSA-N |