ethyl 2-{2-[(4-butyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
ethyl 2-{2-[(4-butyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]acetamido}benzoate
ethyl 2-{2-[(4-butyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | K261-2365 |
| Compound Name: | ethyl 2-{2-[(4-butyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 475.58 |
| Molecular Formula: | C22 H25 N3 O5 S2 |
| Smiles: | CCCCN1C(=NS(c2ccccc12)(=O)=O)SCC(Nc1ccccc1C(=O)OCC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1419 |
| logD: | 4.1317 |
| logSw: | -4.0547 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.168 |
| InChI Key: | ZEIJMJLPXGTBMG-UHFFFAOYSA-N |