3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(4-chlorophenyl)imino]-4-oxo-1,3-thiazinane-6-carboxylic acid
Chemical Structure Depiction of
3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(4-chlorophenyl)imino]-4-oxo-1,3-thiazinane-6-carboxylic acid
3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(4-chlorophenyl)imino]-4-oxo-1,3-thiazinane-6-carboxylic acid
Compound characteristics
| Compound ID: | 8010-3319 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(4-chlorophenyl)imino]-4-oxo-1,3-thiazinane-6-carboxylic acid |
| Molecular Weight: | 418.85 |
| Molecular Formula: | C19 H15 Cl N2 O5 S |
| Smiles: | C1C(C(O)=O)SC(=N/c2ccc(cc2)[Cl])\N(Cc2ccc3c(c2)OCO3)C1=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.319 |
| logD: | 0.8849 |
| logSw: | -3.4525 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.571 |
| InChI Key: | ZKZZWSBHLNIRGN-INIZCTEOSA-N |