3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-fluorophenyl)imino]-4-oxo-1,3-thiazinane-6-carboxylic acid
Chemical Structure Depiction of
3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-fluorophenyl)imino]-4-oxo-1,3-thiazinane-6-carboxylic acid
3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-fluorophenyl)imino]-4-oxo-1,3-thiazinane-6-carboxylic acid
Compound characteristics
| Compound ID: | 8009-6316 |
| Compound Name: | 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-fluorophenyl)imino]-4-oxo-1,3-thiazinane-6-carboxylic acid |
| Molecular Weight: | 432.47 |
| Molecular Formula: | C21 H21 F N2 O5 S |
| Smiles: | COc1ccc(CCN2\C(=N/c3ccc(cc3)F)SC(CC2=O)C(O)=O)cc1OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4983 |
| logD: | 0.0642 |
| logSw: | -2.6977 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.695 |
| InChI Key: | NCHFQAALTZRHFH-SFHVURJKSA-N |