4-[(3-methyl-4-oxo-2-{[3-(trifluoromethyl)phenyl]imino}-1,3-thiazinane-6-carbonyl)amino]benzoic acid
Chemical Structure Depiction of
4-[(3-methyl-4-oxo-2-{[3-(trifluoromethyl)phenyl]imino}-1,3-thiazinane-6-carbonyl)amino]benzoic acid
4-[(3-methyl-4-oxo-2-{[3-(trifluoromethyl)phenyl]imino}-1,3-thiazinane-6-carbonyl)amino]benzoic acid
Compound characteristics
| Compound ID: | 4514-0429 |
| Compound Name: | 4-[(3-methyl-4-oxo-2-{[3-(trifluoromethyl)phenyl]imino}-1,3-thiazinane-6-carbonyl)amino]benzoic acid |
| Molecular Weight: | 451.42 |
| Molecular Formula: | C20 H16 F3 N3 O4 S |
| Smiles: | CN1/C(=N/c2cccc(c2)C(F)(F)F)SC(CC1=O)C(Nc1ccc(cc1)C(O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7632 |
| logD: | 1.3679 |
| logSw: | -4.0225 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.584 |
| InChI Key: | AXXTXFPIZCXIHR-HNNXBMFYSA-N |