AD37063
113046-72-3 | Ethyl 6,7-difluoro-1-methyl-4-oxo-4h-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AD37063
ChemicalName
Ethyl 6,7-difluoro-1-methyl-4-oxo-4h-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate
CasNumber
113046-72-3
MolecularFormula
C14H11F2NO3S
MolecularWeight
311.3038
MdlNumber
MFCD08063939
Smiles
CCOC(=O)c1c2SC(n2c2c(c1=O)cc(c(c2)F)F)C
Complexity
524
Covalently-bondedUnitCount
1
HeavyAtomCount
21
HydrogenBondAcceptorCount
7
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
3.4
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CatalogNumber: AD37063
ChemicalName: Ethyl 6,7-difluoro-1-methyl-4-oxo-4h-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate
CasNumber: 113046-72-3
MolecularFormula: C14H11F2NO3S
MolecularWeight: 311.3038
MdlNumber: MFCD08063939
Smiles: CCOC(=O)c1c2SC(n2c2c(c1=O)cc(c(c2)F)F)C
Complexity: 524
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 7
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: 3.4
CatalogNumber:
AD37063
ChemicalName:
Ethyl 6,7-difluoro-1-methyl-4-oxo-4h-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate
CasNumber:
113046-72-3
MolecularFormula:
C14H11F2NO3S
MolecularWeight:
311.3038
MdlNumber:
MFCD08063939
Smiles:
CCOC(=O)c1c2SC(n2c2c(c1=O)cc(c(c2)F)F)C
Complexity:
524
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
7
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
3.4
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Smiles: S=C=Nc1ccc(c(c1)F)F
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S=C=Nc1ccc(c(c1)F)F
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Smiles: ClCCC(=O)Nc1cccc(c1C)Cl
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ClCCC(=O)Nc1cccc(c1C)Cl
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Smiles: Nc1nc2n(c1)cccc2
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Smiles:
Nc1nc2n(c1)cccc2
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
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