AA20187
1150271-29-6 | (E)-3-(6-Fluoro-4-hydroxy-2-methylquinolin-3-yl)-N-(4-fluorophenyl)but-2-enamide
Manufacturer: A2B Chem
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CatalogNumber
AA20187
ChemicalName
(E)-3-(6-Fluoro-4-hydroxy-2-methylquinolin-3-yl)-N-(4-fluorophenyl)but-2-enamide
CasNumber
1150271-29-6
MolecularFormula
C20H16F2N2O2
MolecularWeight
354.35
MdlNumber
MFCD12026058
Smiles
O=C(/C=C(/c1c(C)nc2c(c1O)cc(cc2)F)C)Nc1ccc(cc1)F
Complexity
636
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
26
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
3
Xlogp3
4
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CatalogNumber: AA20187
ChemicalName: (E)-3-(6-Fluoro-4-hydroxy-2-methylquinolin-3-yl)-N-(4-fluorophenyl)but-2-enamide
CasNumber: 1150271-29-6
MolecularFormula: C20H16F2N2O2
MolecularWeight: 354.35
MdlNumber: MFCD12026058
Smiles: O=C(/C=C(/c1c(C)nc2c(c1O)cc(cc2)F)C)Nc1ccc(cc1)F
Complexity: 636
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 26
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 4
CatalogNumber:
AA20187
ChemicalName:
(E)-3-(6-Fluoro-4-hydroxy-2-methylquinolin-3-yl)-N-(4-fluorophenyl)but-2-enamide
CasNumber:
1150271-29-6
MolecularFormula:
C20H16F2N2O2
MolecularWeight:
354.35
MdlNumber:
MFCD12026058
Smiles:
O=C(/C=C(/c1c(C)nc2c(c1O)cc(cc2)F)C)Nc1ccc(cc1)F
Complexity:
636
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
26
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC1(C)COB(OC1)c1cnccc1Cl
Complexity: 218
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC1(C)COB(OC1)c1cnccc1Cl
Complexity:
218
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA20189
ChemicalName: 2-Fluoro-4,5-dimethoxyphenylboronic acid, pinacol ester
CasNumber: 1150271-76-3
MolecularFormula: C14H20BFO4
MolecularWeight: 282.1156
MdlNumber: MFCD12026083
Smiles: COc1cc(B2OC(C(O2)(C)C)(C)C)c(cc1OC)F
Complexity: 334
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: __
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: __
CatalogNumber:
AA20189
ChemicalName:
2-Fluoro-4,5-dimethoxyphenylboronic acid, pinacol ester
CasNumber:
1150271-76-3
MolecularFormula:
C14H20BFO4
MolecularWeight:
282.1156
MdlNumber:
MFCD12026083
Smiles:
COc1cc(B2OC(C(O2)(C)C)(C)C)c(cc1OC)F
Complexity:
334
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
__
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Fc1cc(C)c(cc1B1OC(C(O1)(C)C)(C)C)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Fc1cc(C)c(cc1B1OC(C(O1)(C)C)(C)C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__