2-oxo-2-[2-(trifluoromethyl)anilino]ethyl 4-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)-3-methylbutanoate
Chemical Structure Depiction of
2-oxo-2-[2-(trifluoromethyl)anilino]ethyl 4-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)-3-methylbutanoate
2-oxo-2-[2-(trifluoromethyl)anilino]ethyl 4-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)-3-methylbutanoate
Compound characteristics
| Compound ID: | K261-1425 |
| Compound Name: | 2-oxo-2-[2-(trifluoromethyl)anilino]ethyl 4-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)-3-methylbutanoate |
| Molecular Weight: | 483.46 |
| Molecular Formula: | C21 H20 F3 N3 O5 S |
| Smiles: | CC(CC1NS(c2ccccc2N=1)(=O)=O)CC(=O)OCC(Nc1ccccc1C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.942 |
| logD: | 2.502 |
| logSw: | -3.8191 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.61 |
| InChI Key: | GOZNJDBPTMYZAQ-CYBMUJFWSA-N |