4-{[2-({4-[chloro(difluoro)methoxy]phenyl}imino)-4-oxo-3-(2-phenylethyl)-1,3-thiazinane-6-carbonyl]amino}benzoic acid--acetic acid (1/1)
Chemical Structure Depiction of
4-{[2-({4-[chloro(difluoro)methoxy]phenyl}imino)-4-oxo-3-(2-phenylethyl)-1,3-thiazinane-6-carbonyl]amino}benzoic acid--acetic acid (1/1)
4-{[2-({4-[chloro(difluoro)methoxy]phenyl}imino)-4-oxo-3-(2-phenylethyl)-1,3-thiazinane-6-carbonyl]amino}benzoic acid--acetic acid (1/1)
Compound characteristics
| Compound ID: | 8012-3584 |
| Compound Name: | 4-{[2-({4-[chloro(difluoro)methoxy]phenyl}imino)-4-oxo-3-(2-phenylethyl)-1,3-thiazinane-6-carbonyl]amino}benzoic acid--acetic acid (1/1) |
| Molecular Weight: | 634.06 |
| Molecular Formula: | C27 H22 Cl F2 N3 O5 S |
| Salt: | CH3COOH |
| Smiles: | C(CN1\C(=N/c2ccc(cc2)OC(F)(F)[Cl])SC(CC1=O)C(Nc1ccc(cc1)C(O)=O)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6533 |
| logD: | 3.258 |
| logSw: | -5.6516 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.022 |
| InChI Key: | HTKSCHSSCCILTG-ORXNLJGLSA-N |