3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(4-fluorophenyl)imino]-4-oxo-1,3-thiazinane-6-carboxylic acid
Chemical Structure Depiction of
3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(4-fluorophenyl)imino]-4-oxo-1,3-thiazinane-6-carboxylic acid
3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(4-fluorophenyl)imino]-4-oxo-1,3-thiazinane-6-carboxylic acid
Compound characteristics
| Compound ID: | 8009-7646 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(4-fluorophenyl)imino]-4-oxo-1,3-thiazinane-6-carboxylic acid |
| Molecular Weight: | 402.4 |
| Molecular Formula: | C19 H15 F N2 O5 S |
| Smiles: | C1C(C(O)=O)SC(=N/c2ccc(cc2)F)\N(Cc2ccc3c(c2)OCO3)C1=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7533 |
| logD: | 0.3193 |
| logSw: | -3.0381 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.571 |
| InChI Key: | YLXRXBASOYSAAM-INIZCTEOSA-N |