methyl 2-{2-[(1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
methyl 2-{2-[(1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]acetamido}benzoate
methyl 2-{2-[(1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | K261-2117 |
| Compound Name: | methyl 2-{2-[(1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 405.45 |
| Molecular Formula: | C17 H15 N3 O5 S2 |
| Smiles: | COC(c1ccccc1NC(CSC1Nc2ccccc2S(N=1)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8515 |
| logD: | 1.7951 |
| logSw: | -2.6534 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.331 |
| InChI Key: | LPPMZIJJXSMTMG-UHFFFAOYSA-N |