4-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(2-fluorophenyl)imino]-4-oxo-1,3-thiazinane-6-carbonyl}amino)benzoic acid
Chemical Structure Depiction of
4-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(2-fluorophenyl)imino]-4-oxo-1,3-thiazinane-6-carbonyl}amino)benzoic acid
4-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(2-fluorophenyl)imino]-4-oxo-1,3-thiazinane-6-carbonyl}amino)benzoic acid
Compound characteristics
| Compound ID: | 5593-2435 |
| Compound Name: | 4-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(2-fluorophenyl)imino]-4-oxo-1,3-thiazinane-6-carbonyl}amino)benzoic acid |
| Molecular Weight: | 521.52 |
| Molecular Formula: | C26 H20 F N3 O6 S |
| Smiles: | C1C(C(Nc2ccc(cc2)C(O)=O)=O)SC(=N/c2ccccc2F)\N(Cc2ccc3c(c2)OCO3)C1=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4221 |
| logD: | 2.0269 |
| logSw: | -4.3187 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.964 |
| InChI Key: | COMQCYNDWGYJAQ-QFIPXVFZSA-N |