methyl 1,1-dioxo-4-[3-(trifluoromethyl)phenyl]-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carboxylate
Chemical Structure Depiction of
methyl 1,1-dioxo-4-[3-(trifluoromethyl)phenyl]-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carboxylate
methyl 1,1-dioxo-4-[3-(trifluoromethyl)phenyl]-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carboxylate
Compound characteristics
| Compound ID: | G917-0066 |
| Compound Name: | methyl 1,1-dioxo-4-[3-(trifluoromethyl)phenyl]-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carboxylate |
| Molecular Weight: | 383.34 |
| Molecular Formula: | C17 H12 F3 N O4 S |
| Smiles: | COC(C1=CN(c2cccc(c2)C(F)(F)F)c2ccccc2S1(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.842 |
| logD: | 2.842 |
| logSw: | -3.573 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.124 |
| InChI Key: | KWEKEHDFLGJQNV-UHFFFAOYSA-N |