4-[(2-{[4-(ethoxycarbonyl)phenyl]imino}-3-[(4-methoxyphenyl)methyl]-4-oxo-1,3-thiazinane-6-carbonyl)amino]benzoic acid
Chemical Structure Depiction of
4-[(2-{[4-(ethoxycarbonyl)phenyl]imino}-3-[(4-methoxyphenyl)methyl]-4-oxo-1,3-thiazinane-6-carbonyl)amino]benzoic acid
4-[(2-{[4-(ethoxycarbonyl)phenyl]imino}-3-[(4-methoxyphenyl)methyl]-4-oxo-1,3-thiazinane-6-carbonyl)amino]benzoic acid
Compound characteristics
| Compound ID: | 5593-2436 |
| Compound Name: | 4-[(2-{[4-(ethoxycarbonyl)phenyl]imino}-3-[(4-methoxyphenyl)methyl]-4-oxo-1,3-thiazinane-6-carbonyl)amino]benzoic acid |
| Molecular Weight: | 561.61 |
| Molecular Formula: | C29 H27 N3 O7 S |
| Smiles: | CCOC(c1ccc(cc1)/N=C1/N(Cc2ccc(cc2)OC)C(CC(C(Nc2ccc(cc2)C(O)=O)=O)S1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1503 |
| logD: | 2.7551 |
| logSw: | -4.7962 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 104.844 |
| InChI Key: | NBGXVNJSTQNBBC-DEOSSOPVSA-N |