4-[(3-ethyl-2-{[4-(methoxycarbonyl)phenyl]imino}-4-oxo-1,3-thiazinane-6-carbonyl)amino]benzoic acid
Chemical Structure Depiction of
4-[(3-ethyl-2-{[4-(methoxycarbonyl)phenyl]imino}-4-oxo-1,3-thiazinane-6-carbonyl)amino]benzoic acid
4-[(3-ethyl-2-{[4-(methoxycarbonyl)phenyl]imino}-4-oxo-1,3-thiazinane-6-carbonyl)amino]benzoic acid
Compound characteristics
| Compound ID: | 5593-2564 |
| Compound Name: | 4-[(3-ethyl-2-{[4-(methoxycarbonyl)phenyl]imino}-4-oxo-1,3-thiazinane-6-carbonyl)amino]benzoic acid |
| Molecular Weight: | 455.49 |
| Molecular Formula: | C22 H21 N3 O6 S |
| Smiles: | CCN1/C(=N/c2ccc(cc2)C(=O)OC)SC(CC1=O)C(Nc1ccc(cc1)C(O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3552 |
| logD: | 0.96 |
| logSw: | -3.5031 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.717 |
| InChI Key: | LSXJINKXJBBNRC-KRWDZBQOSA-N |