3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(4-ethoxyphenyl)imino]-4-oxo-1,3-thiazinane-6-carboxylic acid
Chemical Structure Depiction of
3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(4-ethoxyphenyl)imino]-4-oxo-1,3-thiazinane-6-carboxylic acid
3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(4-ethoxyphenyl)imino]-4-oxo-1,3-thiazinane-6-carboxylic acid
Compound characteristics
| Compound ID: | 8009-8611 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(4-ethoxyphenyl)imino]-4-oxo-1,3-thiazinane-6-carboxylic acid |
| Molecular Weight: | 428.46 |
| Molecular Formula: | C21 H20 N2 O6 S |
| Smiles: | CCOc1ccc(cc1)/N=C1/N(Cc2ccc3c(c2)OCO3)C(CC(C(O)=O)S1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0932 |
| logD: | 0.6592 |
| logSw: | -3.1663 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.695 |
| InChI Key: | FXSPZFMYWATPQX-SFHVURJKSA-N |