4-{[3-{4-[chloro(difluoro)methoxy]phenyl}-2-(methylimino)-4-oxo-1,3-thiazinane-6-carbonyl]amino}benzoic acid--acetic acid (1/1)
Chemical Structure Depiction of
4-{[3-{4-[chloro(difluoro)methoxy]phenyl}-2-(methylimino)-4-oxo-1,3-thiazinane-6-carbonyl]amino}benzoic acid--acetic acid (1/1)
4-{[3-{4-[chloro(difluoro)methoxy]phenyl}-2-(methylimino)-4-oxo-1,3-thiazinane-6-carbonyl]amino}benzoic acid--acetic acid (1/1)
Compound characteristics
| Compound ID: | 8012-5657 |
| Compound Name: | 4-{[3-{4-[chloro(difluoro)methoxy]phenyl}-2-(methylimino)-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: | C/N=C1\N(C(CC(C(Nc2ccc(cc2)C(O)=O)=O)S1)=O)c1ccc(cc1)OC(F)(F)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6188 |
| logD: | 1.2236 |
| logSw: | -4.1974 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.458 |
| InChI Key: | KYKQBBYYYKKFAJ-CDTGLVORSA-N |