3-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-6-methyl-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione
Chemical Structure Depiction of
3-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-6-methyl-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione
3-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-6-methyl-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione
Compound characteristics
| Compound ID: | K261-1787 |
| Compound Name: | 3-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-6-methyl-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione |
| Molecular Weight: | 364.42 |
| Molecular Formula: | C16 H13 F N2 O3 S2 |
| Smiles: | Cc1ccc2c(c1)NC(=NS2(=O)=O)SCC(c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7742 |
| logD: | 2.7469 |
| logSw: | -3.2608 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.952 |
| InChI Key: | XBWCWFLTIDIPIK-UHFFFAOYSA-N |