4-[(2-{[4-(methoxycarbonyl)phenyl]imino}-3-methyl-4-oxo-1,3-thiazinane-6-carbonyl)amino]benzoic acid
Chemical Structure Depiction of
4-[(2-{[4-(methoxycarbonyl)phenyl]imino}-3-methyl-4-oxo-1,3-thiazinane-6-carbonyl)amino]benzoic acid
4-[(2-{[4-(methoxycarbonyl)phenyl]imino}-3-methyl-4-oxo-1,3-thiazinane-6-carbonyl)amino]benzoic acid
Compound characteristics
| Compound ID: | 2738-0687 |
| Compound Name: | 4-[(2-{[4-(methoxycarbonyl)phenyl]imino}-3-methyl-4-oxo-1,3-thiazinane-6-carbonyl)amino]benzoic acid |
| Molecular Weight: | 441.46 |
| Molecular Formula: | C21 H19 N3 O6 S |
| Smiles: | CN1\C(=N/c2ccc(cc2)C(=O)OC)SC(CC1=O)C(Nc1ccc(cc1)C(O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8174 |
| logD: | 0.4222 |
| logSw: | -3.5142 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.758 |
| InChI Key: | DBCVKCXCUOSKHG-CQLPTELBSA-N |