3-[(2-{[4-(ethoxycarbonyl)phenyl]imino}-4-oxo-3-[(2,3,4,5-tetrafluorophenyl)methyl]-1,3-thiazinane-6-carbonyl)amino]benzoic acid
Chemical Structure Depiction of
3-[(2-{[4-(ethoxycarbonyl)phenyl]imino}-4-oxo-3-[(2,3,4,5-tetrafluorophenyl)methyl]-1,3-thiazinane-6-carbonyl)amino]benzoic acid
3-[(2-{[4-(ethoxycarbonyl)phenyl]imino}-4-oxo-3-[(2,3,4,5-tetrafluorophenyl)methyl]-1,3-thiazinane-6-carbonyl)amino]benzoic acid
Compound characteristics
| Compound ID: | 8014-8484 |
| Compound Name: | 3-[(2-{[4-(ethoxycarbonyl)phenyl]imino}-4-oxo-3-[(2,3,4,5-tetrafluorophenyl)methyl]-1,3-thiazinane-6-carbonyl)amino]benzoic acid |
| Molecular Weight: | 603.55 |
| Molecular Formula: | C28 H21 F4 N3 O6 S |
| Smiles: | CCOC(c1ccc(cc1)/N=C1\N(Cc2cc(c(c(c2F)F)F)F)C(CC(C(Nc2cccc(c2)C(O)=O)=O)S1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.073 |
| logD: | 3.1872 |
| logSw: | -5.3592 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.3 |
| InChI Key: | UQUABZFOFDQRJW-FQEVSTJZSA-N |