4-({2-[(3-chloro-4-methylphenyl)imino]-3-methyl-4-oxo-1,3-thiazinane-6-carbonyl}amino)benzoic acid--acetic acid (1/1)
Chemical Structure Depiction of
4-({2-[(3-chloro-4-methylphenyl)imino]-3-methyl-4-oxo-1,3-thiazinane-6-carbonyl}amino)benzoic acid--acetic acid (1/1)
4-({2-[(3-chloro-4-methylphenyl)imino]-3-methyl-4-oxo-1,3-thiazinane-6-carbonyl}amino)benzoic acid--acetic acid (1/1)
Compound characteristics
| Compound ID: | 5593-0393 |
| Compound Name: | 4-({2-[(3-chloro-4-methylphenyl)imino]-3-methyl-4-oxo-1,3-thiazinane-6-carbonyl}amino)benzoic acid--acetic acid (1/1) |
| Molecular Weight: | 491.95 |
| Molecular Formula: | C20 H18 Cl N3 O4 S |
| Salt: | CH3COOH |
| Smiles: | Cc1ccc(cc1[Cl])/N=C1/N(C)C(CC(C(Nc2ccc(cc2)C(O)=O)=O)S1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1614 |
| logD: | 1.7662 |
| logSw: | -4.2609 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.584 |
| InChI Key: | VZRIYTMHFKLLOF-YZNZPZSRSA-N |