ethyl 2-[(1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]butanoate
Chemical Structure Depiction of
ethyl 2-[(1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]butanoate
ethyl 2-[(1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]butanoate
Compound characteristics
| Compound ID: | G857-0271 |
| Compound Name: | ethyl 2-[(1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]butanoate |
| Molecular Weight: | 328.41 |
| Molecular Formula: | C13 H16 N2 O4 S2 |
| Smiles: | CCC(C(=O)OCC)SC1Nc2ccccc2S(N=1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5035 |
| logD: | 2.4825 |
| logSw: | -2.8223 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.731 |
| InChI Key: | IUACUGUFORCKTM-JTQLQIEISA-N |