4-[(2-{[4-(ethoxycarbonyl)phenyl]imino}-3-methyl-4-oxo-1,3-thiazinane-6-carbonyl)amino]benzoic acid
Chemical Structure Depiction of
4-[(2-{[4-(ethoxycarbonyl)phenyl]imino}-3-methyl-4-oxo-1,3-thiazinane-6-carbonyl)amino]benzoic acid
4-[(2-{[4-(ethoxycarbonyl)phenyl]imino}-3-methyl-4-oxo-1,3-thiazinane-6-carbonyl)amino]benzoic acid
Compound characteristics
| Compound ID: | 4514-0426 |
| Compound Name: | 4-[(2-{[4-(ethoxycarbonyl)phenyl]imino}-3-methyl-4-oxo-1,3-thiazinane-6-carbonyl)amino]benzoic acid |
| Molecular Weight: | 455.49 |
| Molecular Formula: | C22 H21 N3 O6 S |
| Smiles: | CCOC(c1ccc(cc1)/N=C1/N(C)C(CC(C(Nc2ccc(cc2)C(O)=O)=O)S1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3281 |
| logD: | 0.9329 |
| logSw: | -3.4963 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.338 |
| InChI Key: | URXVBUUGWXIAHR-KRWDZBQOSA-N |