4-{[2-(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)-2-(2-hydroxyethyl)hydrazinylidene]methyl}-3-hydroxynaphthalene-2-carboxylic acid
Chemical Structure Depiction of
4-{[2-(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)-2-(2-hydroxyethyl)hydrazinylidene]methyl}-3-hydroxynaphthalene-2-carboxylic acid
4-{[2-(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)-2-(2-hydroxyethyl)hydrazinylidene]methyl}-3-hydroxynaphthalene-2-carboxylic acid
Compound characteristics
Compound ID: | 5251-2246 |
Compound Name: | 4-{[2-(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)-2-(2-hydroxyethyl)hydrazinylidene]methyl}-3-hydroxynaphthalene-2-carboxylic acid |
Molecular Weight: | 439.45 |
Molecular Formula: | C21 H17 N3 O6 S |
Smiles: | C(CO)N(C1c2ccccc2S(N=1)(=O)=O)/N=C/c1c(c(cc2ccccc12)C(O)=O)O |
Stereo: | ACHIRAL |
logP: | 2.4977 |
logD: | 0.1592 |
logSw: | -3.0007 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 111.445 |
InChI Key: | LPIUTCXGSKIJID-UHFFFAOYSA-N |