Ethyl 6,7-Difluoro-1-methyl-4-oxo-1,4-dihydro-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate - CAS 113046-72-3
Catalog: |
BB003092 |
Product Name: |
Ethyl 6,7-Difluoro-1-methyl-4-oxo-1,4-dihydro-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate |
CAS: |
113046-72-3 |
Synonyms: |
6,7-difluoro-1-methyl-4-oxo-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid ethyl ester; ethyl 6,7-difluoro-1-methyl-4-oxo-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate |
IUPAC Name: | ethyl 6,7-difluoro-1-methyl-4-oxo-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate |
Description: | An ester of a fluorinated [1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid derivative with bactericidal activity. |
Molecular Weight: | 311.30 |
Molecular Formula: | C14H11F2NO3S |
Canonical SMILES: | CCOC(=O)C1=C2N(C(S2)C)C3=CC(=C(C=C3C1=O)F)F |
InChI: | InChI=1S/C14H11F2NO3S/c1-3-20-14(19)11-12(18)7-4-8(15)9(16)5-10(7)17-6(2)21-13(11)17/h4-6H,3H2,1-2H3 |
InChI Key: | UUJUEXKIHKGFTH-UHFFFAOYSA-N |
Boiling Point: | 436.8 °C at 760 mmHg |
Density: | 1.5 g/cm3 |
Storage: | Sealed in dry, Room Temperature |
MDL: | MFCD08063939 |
LogP: | 3.08060 |
Publication Number | Title | Priority Date |
WO-2012001357-A1 | Crystalline form of prulifloxacin and processes for its preparation | 20100630 |
WO-2009093268-A1 | Process for the preparation of highly pure prulifloxacin | 20080123 |
EP-2081940-A1 | Process for preparation of prulifloxacin using novel intermediates | 20061117 |
US-2010197910-A1 | Process for preparation of prulifloxacin using novel intermediates | 20061117 |
WO-2008059512-A1 | Process for preparation of prulifloxacin using novel intermediates | 20061117 |
Complexity: | 524 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 311.04277071 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 311.04277071 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 71.9 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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