methyl 4-{2-[3-oxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[3-oxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetamido}benzoate
methyl 4-{2-[3-oxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | 5029-0104 |
| Compound Name: | methyl 4-{2-[3-oxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetamido}benzoate |
| Molecular Weight: | 424.4 |
| Molecular Formula: | C19 H15 F3 N2 O4 S |
| Smiles: | COC(c1ccc(cc1)NC(CC1C(Nc2cc(ccc2S1)C(F)(F)F)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.077 |
| logD: | 4.0763 |
| logSw: | -4.3289 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.168 |
| InChI Key: | QBUSHNMMBZIXLR-HNNXBMFYSA-N |