methyl 2-[(1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]propanoate
Chemical Structure Depiction of
methyl 2-[(1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]propanoate
methyl 2-[(1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]propanoate
Compound characteristics
| Compound ID: | G857-0274 |
| Compound Name: | methyl 2-[(1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]propanoate |
| Molecular Weight: | 300.35 |
| Molecular Formula: | C11 H12 N2 O4 S2 |
| Smiles: | CC(C(=O)OC)SC1Nc2ccccc2S(N=1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5639 |
| logD: | 1.5429 |
| logSw: | -2.3101 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.151 |
| InChI Key: | HKVPVWAEEFQMSW-ZETCQYMHSA-N |