ethyl 2-{2-[2-(3-chloro-4-methylphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]acetamido}benzoate
Chemical Structure Depiction of
ethyl 2-{2-[2-(3-chloro-4-methylphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]acetamido}benzoate
ethyl 2-{2-[2-(3-chloro-4-methylphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | K261-0939 |
| Compound Name: | ethyl 2-{2-[2-(3-chloro-4-methylphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]acetamido}benzoate |
| Molecular Weight: | 527.98 |
| Molecular Formula: | C25 H22 Cl N3 O6 S |
| Smiles: | CCOC(c1ccccc1NC(CN1C(N(c2ccc(C)c(c2)[Cl])S(c2ccccc12)(=O)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.162 |
| logD: | 5.1496 |
| logSw: | -5.3778 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.948 |
| InChI Key: | KWJMMVADYIGROT-UHFFFAOYSA-N |