4-[(3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-2-{[3-(trifluoromethyl)phenyl]imino}-1,3-thiazinane-6-carbonyl)amino]benzoic acid
Chemical Structure Depiction of
4-[(3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-2-{[3-(trifluoromethyl)phenyl]imino}-1,3-thiazinane-6-carbonyl)amino]benzoic acid
4-[(3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-2-{[3-(trifluoromethyl)phenyl]imino}-1,3-thiazinane-6-carbonyl)amino]benzoic acid
Compound characteristics
| Compound ID: | 2738-0364 |
| Compound Name: | 4-[(3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-2-{[3-(trifluoromethyl)phenyl]imino}-1,3-thiazinane-6-carbonyl)amino]benzoic acid |
| Molecular Weight: | 571.53 |
| Molecular Formula: | C27 H20 F3 N3 O6 S |
| Smiles: | C1C(C(Nc2ccc(cc2)C(O)=O)=O)SC(=N/c2cccc(c2)C(F)(F)F)\N(Cc2ccc3c(c2)OCO3)C1=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4742 |
| logD: | 3.079 |
| logSw: | -5.8487 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.662 |
| InChI Key: | HNFXYVMHUFZJFP-QFIPXVFZSA-N |