4-{[2-{[4-(ethoxycarbonyl)phenyl]imino}-4-oxo-3-(2-phenylethyl)-1,3-thiazinane-6-carbonyl]amino}benzoic acid
Chemical Structure Depiction of
4-{[2-{[4-(ethoxycarbonyl)phenyl]imino}-4-oxo-3-(2-phenylethyl)-1,3-thiazinane-6-carbonyl]amino}benzoic acid
4-{[2-{[4-(ethoxycarbonyl)phenyl]imino}-4-oxo-3-(2-phenylethyl)-1,3-thiazinane-6-carbonyl]amino}benzoic acid
Compound characteristics
| Compound ID: | 5593-2475 |
| Compound Name: | 4-{[2-{[4-(ethoxycarbonyl)phenyl]imino}-4-oxo-3-(2-phenylethyl)-1,3-thiazinane-6-carbonyl]amino}benzoic acid |
| Molecular Weight: | 545.61 |
| Molecular Formula: | C29 H27 N3 O6 S |
| Smiles: | CCOC(c1ccc(cc1)/N=C1/N(CCc2ccccc2)C(CC(C(Nc2ccc(cc2)C(O)=O)=O)S1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2671 |
| logD: | 2.8718 |
| logSw: | -5.0692 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.279 |
| InChI Key: | NGCPMBSZVAIOPH-DEOSSOPVSA-N |