ethyl 4-{2-[(1,1-dioxo-4-propyl-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
ethyl 4-{2-[(1,1-dioxo-4-propyl-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]acetamido}benzoate
ethyl 4-{2-[(1,1-dioxo-4-propyl-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | K261-2336 |
| Compound Name: | ethyl 4-{2-[(1,1-dioxo-4-propyl-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 461.56 |
| Molecular Formula: | C21 H23 N3 O5 S2 |
| Smiles: | CCCN1C(=NS(c2ccccc12)(=O)=O)SCC(Nc1ccc(cc1)C(=O)OCC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0008 |
| logD: | 4.0008 |
| logSw: | -3.994 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.866 |
| InChI Key: | KWHAKPKHLKVWES-UHFFFAOYSA-N |