AA84396
1626387-80-1 | (2R)-2,4-dimethyl-1-piperazinecarboxylic acid, 4-[(3-chloro-2-fluorophenyl)amino]-7-methoxy-6-quinazolinyl ester
Manufacturer: A2B Chem
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CatalogNumber
AA84396
ChemicalName
(2R)-2,4-dimethyl-1-piperazinecarboxylic acid, 4-[(3-chloro-2-fluorophenyl)amino]-7-methoxy-6-quinazolinyl ester
CasNumber
1626387-80-1
MolecularFormula
C22H23ClFN5O3
MolecularWeight
459.9011
MdlNumber
MFCD29058564
Smiles
COc1cc2ncnc(c2cc1OC(=O)N1CCN(C[C@H]1C)C)Nc1cccc(c1F)Cl
Complexity
649
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
32
HydrogenBondAcceptorCount
8
HydrogenBondDonorCount
1
RotatableBondCount
5
Xlogp3
4.1
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CatalogNumber: AA84396
ChemicalName: (2R)-2,4-dimethyl-1-piperazinecarboxylic acid, 4-[(3-chloro-2-fluorophenyl)amino]-7-methoxy-6-quinazolinyl ester
CasNumber: 1626387-80-1
MolecularFormula: C22H23ClFN5O3
MolecularWeight: 459.9011
MdlNumber: MFCD29058564
Smiles: COc1cc2ncnc(c2cc1OC(=O)N1CCN(C[C@H]1C)C)Nc1cccc(c1F)Cl
Complexity: 649
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 32
HydrogenBondAcceptorCount: 8
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 4.1
CatalogNumber:
AA84396
ChemicalName:
(2R)-2,4-dimethyl-1-piperazinecarboxylic acid, 4-[(3-chloro-2-fluorophenyl)amino]-7-methoxy-6-quinazolinyl ester
CasNumber:
1626387-80-1
MolecularFormula:
C22H23ClFN5O3
MolecularWeight:
459.9011
MdlNumber:
MFCD29058564
Smiles:
COc1cc2ncnc(c2cc1OC(=O)N1CCN(C[C@H]1C)C)Nc1cccc(c1F)Cl
Complexity:
649
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
32
HydrogenBondAcceptorCount:
8
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
4.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O[C@H]1C[C@@H](O[C@@H]1CO[Si](C(C)(C)C)(c1ccccc1)c1ccccc1)n1cc(C#CCNC(=O)C(F)(F)F)c(=O)[nH]c1=O
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O[C@H]1C[C@@H](O[C@@H]1CO[Si](C(C)(C)C)(c1ccccc1)c1ccccc1)n1cc(C#CCNC(=O)C(F)(F)F)c(=O)[nH]c1=O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA84398
ChemicalName: 1-(Fmoc-amino)cyclohexanecarboxylic acid
CasNumber: 162648-54-6
MolecularFormula: C22H23NO4
MolecularWeight: 365.4223
MdlNumber: MFCD00273464
Smiles: O=C(NC1(CCCCC1)C(=O)O)OCC1c2ccccc2-c2c1cccc2
Complexity: 535
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 27
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 5
Xlogp3: 4.3
CatalogNumber:
AA84398
ChemicalName:
1-(Fmoc-amino)cyclohexanecarboxylic acid
CasNumber:
162648-54-6
MolecularFormula:
C22H23NO4
MolecularWeight:
365.4223
MdlNumber:
MFCD00273464
Smiles:
O=C(NC1(CCCCC1)C(=O)O)OCC1c2ccccc2-c2c1cccc2
Complexity:
535
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
27
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
5
Xlogp3:
4.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CN1CCCc2c1ccc(c2)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CN1CCCc2c1ccc(c2)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__