4-[(2-{[4-(ethoxycarbonyl)phenyl]imino}-3-[2-(4-fluorophenyl)ethyl]-4-oxo-1,3-thiazinane-6-carbonyl)amino]benzoic acid
Chemical Structure Depiction of
4-[(2-{[4-(ethoxycarbonyl)phenyl]imino}-3-[2-(4-fluorophenyl)ethyl]-4-oxo-1,3-thiazinane-6-carbonyl)amino]benzoic acid
4-[(2-{[4-(ethoxycarbonyl)phenyl]imino}-3-[2-(4-fluorophenyl)ethyl]-4-oxo-1,3-thiazinane-6-carbonyl)amino]benzoic acid
Compound characteristics
| Compound ID: | 8014-6213 |
| Compound Name: | 4-[(2-{[4-(ethoxycarbonyl)phenyl]imino}-3-[2-(4-fluorophenyl)ethyl]-4-oxo-1,3-thiazinane-6-carbonyl)amino]benzoic acid |
| Molecular Weight: | 563.6 |
| Molecular Formula: | C29 H26 F N3 O6 S |
| Smiles: | CCOC(c1ccc(cc1)/N=C1/N(CCc2ccc(cc2)F)C(CC(C(Nc2ccc(cc2)C(O)=O)=O)S1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2961 |
| logD: | 2.9009 |
| logSw: | -5.1103 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.279 |
| InChI Key: | CZQJSQGPOQJXOZ-DEOSSOPVSA-N |