AA74026
148901-69-3 | Ethyl (e)-7-[4-(4'-fluorophenyl)-2-(cyclopropyl)-3-quinolinyl]-5-hydroxy-3-oxo-6-heptenoate
Manufacturer: A2B Chem
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CatalogNumber
AA74026
ChemicalName
Ethyl (e)-7-[4-(4'-fluorophenyl)-2-(cyclopropyl)-3-quinolinyl]-5-hydroxy-3-oxo-6-heptenoate
CasNumber
148901-69-3
MolecularFormula
C27H26FNO4
MolecularWeight
447.498
MdlNumber
MFCD11041029
Smiles
CCOC(=O)CC(=O)CC(/C=C/c1c(nc2c(c1c1ccc(cc1)F)cccc2)C1CC1)O
Complexity
700
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
33
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
10
UndefinedAtomStereocenterCount
1
Xlogp3
4.3
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CatalogNumber: AA74026
ChemicalName: Ethyl (e)-7-[4-(4'-fluorophenyl)-2-(cyclopropyl)-3-quinolinyl]-5-hydroxy-3-oxo-6-heptenoate
CasNumber: 148901-69-3
MolecularFormula: C27H26FNO4
MolecularWeight: 447.498
MdlNumber: MFCD11041029
Smiles: CCOC(=O)CC(=O)CC(/C=C/c1c(nc2c(c1c1ccc(cc1)F)cccc2)C1CC1)O
Complexity: 700
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 33
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 10
UndefinedAtomStereocenterCount: 1
Xlogp3: 4.3
CatalogNumber:
AA74026
ChemicalName:
Ethyl (e)-7-[4-(4'-fluorophenyl)-2-(cyclopropyl)-3-quinolinyl]-5-hydroxy-3-oxo-6-heptenoate
CasNumber:
148901-69-3
MolecularFormula:
C27H26FNO4
MolecularWeight:
447.498
MdlNumber:
MFCD11041029
Smiles:
CCOC(=O)CC(=O)CC(/C=C/c1c(nc2c(c1c1ccc(cc1)F)cccc2)C1CC1)O
Complexity:
700
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
33
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
10
UndefinedAtomStereocenterCount:
1
Xlogp3:
4.3
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
HydrogenBondDonorCount: __
RotatableBondCount: 4
UndefinedAtomStereocenterCount: __
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
HydrogenBondDonorCount:
__
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
__
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: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 1.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#Cc1c(F)c(C=O)ccc1N(C)C
Complexity:
258
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CSc1ccc(cc1)Oc1cccc(c1C#N)F
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CSc1ccc(cc1)Oc1cccc(c1C#N)F
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__