AA74027
148901-68-2 | (E)-3-[2-Cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-2-propenal
Manufacturer: A2B Chem
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CatalogNumber
AA74027
ChemicalName
(E)-3-[2-Cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-2-propenal
CasNumber
148901-68-2
MolecularFormula
C21H16FNO
MolecularWeight
317.3562
MdlNumber
MFCD09955496
Smiles
O=C/C=C/c1c(nc2c(c1c1ccc(cc1)F)cccc2)C1CC1
Complexity
467
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
24
HydrogenBondAcceptorCount
3
RotatableBondCount
4
Xlogp3
4.4
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CatalogNumber: AA74027
ChemicalName: (E)-3-[2-Cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-2-propenal
CasNumber: 148901-68-2
MolecularFormula: C21H16FNO
MolecularWeight: 317.3562
MdlNumber: MFCD09955496
Smiles: O=C/C=C/c1c(nc2c(c1c1ccc(cc1)F)cccc2)C1CC1
Complexity: 467
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 24
HydrogenBondAcceptorCount: 3
RotatableBondCount: 4
Xlogp3: 4.4
CatalogNumber:
AA74027
ChemicalName:
(E)-3-[2-Cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-2-propenal
CasNumber:
148901-68-2
MolecularFormula:
C21H16FNO
MolecularWeight:
317.3562
MdlNumber:
MFCD09955496
Smiles:
O=C/C=C/c1c(nc2c(c1c1ccc(cc1)F)cccc2)C1CC1
Complexity:
467
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
24
HydrogenBondAcceptorCount:
3
RotatableBondCount:
4
Xlogp3:
4.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#Cc1c(F)c(C=O)ccc1N(C)C
Complexity: 258
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 1.3
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
N#Cc1c(F)c(C=O)ccc1N(C)C
Complexity:
258
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
1.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CSc1ccc(cc1)Oc1cccc(c1C#N)F
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
CSc1ccc(cc1)Oc1cccc(c1C#N)F
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#Cc1c(F)cccc1n1cccc1
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#Cc1c(F)cccc1n1cccc1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__