ethyl 4-[(1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]-3-oxobutanoate
Chemical Structure Depiction of
ethyl 4-[(1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]-3-oxobutanoate
ethyl 4-[(1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]-3-oxobutanoate
Compound characteristics
| Compound ID: | G857-0281 |
| Compound Name: | ethyl 4-[(1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]-3-oxobutanoate |
| Molecular Weight: | 342.39 |
| Molecular Formula: | C13 H14 N2 O5 S2 |
| Smiles: | CCOC(CC(CSC1Nc2ccccc2S(N=1)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9252 |
| logD: | 0.8688 |
| logSw: | -2.3423 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.891 |
| InChI Key: | YFZNFVYAMIDJLG-UHFFFAOYSA-N |