methyl 4-{[2-(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)-2-(2-hydroxyethyl)hydrazinylidene]methyl}-3-hydroxynaphthalene-2-carboxylate
Chemical Structure Depiction of
methyl 4-{[2-(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)-2-(2-hydroxyethyl)hydrazinylidene]methyl}-3-hydroxynaphthalene-2-carboxylate
methyl 4-{[2-(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)-2-(2-hydroxyethyl)hydrazinylidene]methyl}-3-hydroxynaphthalene-2-carboxylate
Compound characteristics
| Compound ID: | 5251-2226 |
| Compound Name: | methyl 4-{[2-(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)-2-(2-hydroxyethyl)hydrazinylidene]methyl}-3-hydroxynaphthalene-2-carboxylate |
| Molecular Weight: | 453.47 |
| Molecular Formula: | C22 H19 N3 O6 S |
| Smiles: | COC(c1cc2ccccc2c(/C=N/N(CCO)C2c3ccccc3S(N=2)(=O)=O)c1O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6 |
| logD: | 2.5949 |
| logSw: | -3.0823 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 104.21 |
| InChI Key: | UWDWGDYDDQDJNE-UHFFFAOYSA-N |