4-[(2-{[4-(ethoxycarbonyl)phenyl]imino}-4-oxo-3-[(thiophen-2-yl)methyl]-1,3-thiazinane-6-carbonyl)amino]benzoic acid
Chemical Structure Depiction of
4-[(2-{[4-(ethoxycarbonyl)phenyl]imino}-4-oxo-3-[(thiophen-2-yl)methyl]-1,3-thiazinane-6-carbonyl)amino]benzoic acid
4-[(2-{[4-(ethoxycarbonyl)phenyl]imino}-4-oxo-3-[(thiophen-2-yl)methyl]-1,3-thiazinane-6-carbonyl)amino]benzoic acid
Compound characteristics
| Compound ID: | 5593-2124 |
| Compound Name: | 4-[(2-{[4-(ethoxycarbonyl)phenyl]imino}-4-oxo-3-[(thiophen-2-yl)methyl]-1,3-thiazinane-6-carbonyl)amino]benzoic acid |
| Molecular Weight: | 537.61 |
| Molecular Formula: | C26 H23 N3 O6 S2 |
| Smiles: | CCOC(c1ccc(cc1)/N=C1/N(Cc2cccs2)C(CC(C(Nc2ccc(cc2)C(O)=O)=O)S1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8244 |
| logD: | 2.4292 |
| logSw: | -4.1879 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.319 |
| InChI Key: | YMTNDPVSYYWLEA-NRFANRHFSA-N |