4-({3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2-fluorophenyl)imino]-4-oxo-1,3-thiazinane-6-carbonyl}amino)benzoic acid
Chemical Structure Depiction of
4-({3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2-fluorophenyl)imino]-4-oxo-1,3-thiazinane-6-carbonyl}amino)benzoic acid
4-({3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2-fluorophenyl)imino]-4-oxo-1,3-thiazinane-6-carbonyl}amino)benzoic acid
Compound characteristics
| Compound ID: | 5593-2439 |
| Compound Name: | 4-({3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2-fluorophenyl)imino]-4-oxo-1,3-thiazinane-6-carbonyl}amino)benzoic acid |
| Molecular Weight: | 551.59 |
| Molecular Formula: | C28 H26 F N3 O6 S |
| Smiles: | COc1ccc(CCN2/C(=N/c3ccccc3F)SC(CC2=O)C(Nc2ccc(cc2)C(O)=O)=O)cc1OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.167 |
| logD: | 1.7718 |
| logSw: | -4.1876 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.088 |
| InChI Key: | OJZLGXCLBLWFRF-DEOSSOPVSA-N |