4-({2-[(4-chlorophenyl)imino]-3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-1,3-thiazinane-6-carbonyl}amino)benzoic acid
Chemical Structure Depiction of
4-({2-[(4-chlorophenyl)imino]-3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-1,3-thiazinane-6-carbonyl}amino)benzoic acid
4-({2-[(4-chlorophenyl)imino]-3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-1,3-thiazinane-6-carbonyl}amino)benzoic acid
Compound characteristics
| Compound ID: | 2739-0171 |
| Compound Name: | 4-({2-[(4-chlorophenyl)imino]-3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-1,3-thiazinane-6-carbonyl}amino)benzoic acid |
| Molecular Weight: | 568.05 |
| Molecular Formula: | C28 H26 Cl N3 O6 S |
| Smiles: | COc1ccc(CCN2/C(=N/c3ccc(cc3)[Cl])SC(CC2=O)C(Nc2ccc(cc2)C(O)=O)=O)cc1OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7774 |
| logD: | 2.3822 |
| logSw: | -4.6286 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.786 |
| InChI Key: | MCXVRROGDUZYPQ-DEOSSOPVSA-N |