N-(butan-2-yl)-2-{2-[3-(methylsulfanyl)phenyl]-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl}acetamide
Chemical Structure Depiction of
N-(butan-2-yl)-2-{2-[3-(methylsulfanyl)phenyl]-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl}acetamide
N-(butan-2-yl)-2-{2-[3-(methylsulfanyl)phenyl]-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl}acetamide
Compound characteristics
| Compound ID: | K261-2916 |
| Compound Name: | N-(butan-2-yl)-2-{2-[3-(methylsulfanyl)phenyl]-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl}acetamide |
| Molecular Weight: | 433.55 |
| Molecular Formula: | C20 H23 N3 O4 S2 |
| Smiles: | CCC(C)NC(CN1C(N(c2cccc(c2)SC)S(c2ccccc12)(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1175 |
| logD: | 3.1175 |
| logSw: | -3.6579 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.927 |
| InChI Key: | UAPWKWVQGIXVPM-AWEZNQCLSA-N |