methyl 1,1-dioxo-2-{2-oxo-2-[2-(trifluoromethyl)anilino]ethyl}-4-phenyl-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate
Chemical Structure Depiction of
methyl 1,1-dioxo-2-{2-oxo-2-[2-(trifluoromethyl)anilino]ethyl}-4-phenyl-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate
methyl 1,1-dioxo-2-{2-oxo-2-[2-(trifluoromethyl)anilino]ethyl}-4-phenyl-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate
Compound characteristics
| Compound ID: | C200-5712 |
| Compound Name: | methyl 1,1-dioxo-2-{2-oxo-2-[2-(trifluoromethyl)anilino]ethyl}-4-phenyl-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate |
| Molecular Weight: | 516.49 |
| Molecular Formula: | C25 H19 F3 N2 O5 S |
| Smiles: | COC(C1=C(c2ccccc2)c2ccccc2S(N1CC(Nc1ccccc1C(F)(F)F)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6926 |
| logD: | 4.6926 |
| logSw: | -4.4933 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.026 |
| InChI Key: | SHDFXAMWKMMGNX-UHFFFAOYSA-N |