methyl 4-[(3-benzyl-2-{[4-(ethoxycarbonyl)phenyl]imino}-4-oxo-1,3-thiazinane-6-carbonyl)amino]benzoate
Chemical Structure Depiction of
methyl 4-[(3-benzyl-2-{[4-(ethoxycarbonyl)phenyl]imino}-4-oxo-1,3-thiazinane-6-carbonyl)amino]benzoate
methyl 4-[(3-benzyl-2-{[4-(ethoxycarbonyl)phenyl]imino}-4-oxo-1,3-thiazinane-6-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | 8014-7600 |
| Compound Name: | methyl 4-[(3-benzyl-2-{[4-(ethoxycarbonyl)phenyl]imino}-4-oxo-1,3-thiazinane-6-carbonyl)amino]benzoate |
| Molecular Weight: | 545.61 |
| Molecular Formula: | C29 H27 N3 O6 S |
| Smiles: | CCOC(c1ccc(cc1)/N=C1\N(Cc2ccccc2)C(CC(C(Nc2ccc(cc2)C(=O)OC)=O)S1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4105 |
| logD: | 5.4103 |
| logSw: | -5.3608 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.066 |
| InChI Key: | VDWHHOKAOFZQCX-DEOSSOPVSA-N |