methyl 3-{[2-(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)-2-(2-hydroxyethyl)hydrazinylidene]methyl}-4-hydroxybenzoate
Chemical Structure Depiction of
methyl 3-{[2-(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)-2-(2-hydroxyethyl)hydrazinylidene]methyl}-4-hydroxybenzoate
methyl 3-{[2-(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)-2-(2-hydroxyethyl)hydrazinylidene]methyl}-4-hydroxybenzoate
Compound characteristics
| Compound ID: | 5251-2255 |
| Compound Name: | methyl 3-{[2-(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)-2-(2-hydroxyethyl)hydrazinylidene]methyl}-4-hydroxybenzoate |
| Molecular Weight: | 403.41 |
| Molecular Formula: | C18 H17 N3 O6 S |
| Smiles: | COC(c1ccc(c(/C=N/N(CCO)C2c3ccccc3S(N=2)(=O)=O)c1)O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5642 |
| logD: | 1.5501 |
| logSw: | -2.3989 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 105.551 |
| InChI Key: | JVFQELQLVIXOCD-UHFFFAOYSA-N |