4-[2-(azepan-1-yl)-2-oxoethyl]-2-(2,5-difluorophenyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione
Chemical Structure Depiction of
4-[2-(azepan-1-yl)-2-oxoethyl]-2-(2,5-difluorophenyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione
4-[2-(azepan-1-yl)-2-oxoethyl]-2-(2,5-difluorophenyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione
Compound characteristics
| Compound ID: | K261-2789 |
| Compound Name: | 4-[2-(azepan-1-yl)-2-oxoethyl]-2-(2,5-difluorophenyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione |
| Molecular Weight: | 449.48 |
| Molecular Formula: | C21 H21 F2 N3 O4 S |
| Smiles: | C1CCCN(CC1)C(CN1C(N(c2cc(ccc2F)F)S(c2ccccc12)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2524 |
| logD: | 3.2524 |
| logSw: | -3.6415 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.165 |
| InChI Key: | RAMKTBVUMZFGIG-UHFFFAOYSA-N |