2-oxo-2-[3-(trifluoromethyl)anilino]ethyl 4-(1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)butanoate
Chemical Structure Depiction of
2-oxo-2-[3-(trifluoromethyl)anilino]ethyl 4-(1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)butanoate
2-oxo-2-[3-(trifluoromethyl)anilino]ethyl 4-(1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)butanoate
Compound characteristics
| Compound ID: | K261-1321 |
| Compound Name: | 2-oxo-2-[3-(trifluoromethyl)anilino]ethyl 4-(1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)butanoate |
| Molecular Weight: | 469.44 |
| Molecular Formula: | C20 H18 F3 N3 O5 S |
| Smiles: | C(CC1Nc2ccccc2S(N=1)(=O)=O)CC(=O)OCC(Nc1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8254 |
| logD: | 2.8249 |
| logSw: | -3.5148 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.788 |
| InChI Key: | FELKAWZNZRBFCX-UHFFFAOYSA-N |