4-{[2-({4-[chloro(difluoro)methoxy]phenyl}imino)-3-methyl-4-oxo-1,3-thiazinane-6-carbonyl]amino}benzoic acid--acetic acid (1/1)
Chemical Structure Depiction of
4-{[2-({4-[chloro(difluoro)methoxy]phenyl}imino)-3-methyl-4-oxo-1,3-thiazinane-6-carbonyl]amino}benzoic acid--acetic acid (1/1)
4-{[2-({4-[chloro(difluoro)methoxy]phenyl}imino)-3-methyl-4-oxo-1,3-thiazinane-6-carbonyl]amino}benzoic acid--acetic acid (1/1)
Compound characteristics
| Compound ID: | 8012-3587 |
| Compound Name: | 4-{[2-({4-[chloro(difluoro)methoxy]phenyl}imino)-3-methyl-4-oxo-1,3-thiazinane-6-carbonyl]amino}benzoic acid--acetic acid (1/1) |
| Molecular Weight: | 543.93 |
| Molecular Formula: | C20 H16 Cl F2 N3 O5 S |
| Salt: | CH3COOH |
| Smiles: | CN1\C(=N/c2ccc(cc2)OC(F)(F)[Cl])SC(CC1=O)C(Nc1ccc(cc1)C(O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7143 |
| logD: | 1.3191 |
| logSw: | -4.2816 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.081 |
| InChI Key: | PBPGJTZRLOGRLT-OEBSBLQASA-N |