4-[(3-[(4-chlorophenyl)methyl]-2-{[4-(ethoxycarbonyl)phenyl]imino}-4-oxo-1,3-thiazinane-6-carbonyl)amino]benzoic acid
Chemical Structure Depiction of
4-[(3-[(4-chlorophenyl)methyl]-2-{[4-(ethoxycarbonyl)phenyl]imino}-4-oxo-1,3-thiazinane-6-carbonyl)amino]benzoic acid
4-[(3-[(4-chlorophenyl)methyl]-2-{[4-(ethoxycarbonyl)phenyl]imino}-4-oxo-1,3-thiazinane-6-carbonyl)amino]benzoic acid
Compound characteristics
| Compound ID: | 5593-2440 |
| Compound Name: | 4-[(3-[(4-chlorophenyl)methyl]-2-{[4-(ethoxycarbonyl)phenyl]imino}-4-oxo-1,3-thiazinane-6-carbonyl)amino]benzoic acid |
| Molecular Weight: | 566.03 |
| Molecular Formula: | C28 H24 Cl N3 O6 S |
| Smiles: | CCOC(c1ccc(cc1)/N=C1/N(Cc2ccc(cc2)[Cl])C(CC(C(Nc2ccc(cc2)C(O)=O)=O)S1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7627 |
| logD: | 3.3675 |
| logSw: | -5.6778 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.3 |
| InChI Key: | ZVZSFLKQRWJLFX-HSZRJFAPSA-N |