AE35820
1214265-58-3 | N-(3-((5-chloro-2-((2-methoxy-4-(4-methylpiperazin-1-yl)phenyl)amino)pyrimidin-4-yl)oxy)phenyl)propionamide
Manufacturer: A2B Chem
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CatalogNumber
AE35820
ChemicalName
N-(3-((5-chloro-2-((2-methoxy-4-(4-methylpiperazin-1-yl)phenyl)amino)pyrimidin-4-yl)oxy)phenyl)propionamide
CasNumber
1214265-58-3
MolecularFormula
C25H29ClN6O3
MolecularWeight
496.9891599999999
MdlNumber
MFCD28015100
Smiles
CCC(=O)Nc1cccc(c1)Oc1nc(ncc1Cl)Nc1ccc(cc1OC)N1CCN(CC1)C
Complexity
667
Covalently-bondedUnitCount
1
HeavyAtomCount
35
HydrogenBondAcceptorCount
8
HydrogenBondDonorCount
2
RotatableBondCount
8
Xlogp3
4.1
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CatalogNumber: AE35820
ChemicalName: N-(3-((5-chloro-2-((2-methoxy-4-(4-methylpiperazin-1-yl)phenyl)amino)pyrimidin-4-yl)oxy)phenyl)propionamide
CasNumber: 1214265-58-3
MolecularFormula: C25H29ClN6O3
MolecularWeight: 496.9891599999999
MdlNumber: MFCD28015100
Smiles: CCC(=O)Nc1cccc(c1)Oc1nc(ncc1Cl)Nc1ccc(cc1OC)N1CCN(CC1)C
Complexity: 667
Covalently-bondedUnitCount: 1
HeavyAtomCount: 35
HydrogenBondAcceptorCount: 8
HydrogenBondDonorCount: 2
RotatableBondCount: 8
Xlogp3: 4.1
CatalogNumber:
AE35820
ChemicalName:
N-(3-((5-chloro-2-((2-methoxy-4-(4-methylpiperazin-1-yl)phenyl)amino)pyrimidin-4-yl)oxy)phenyl)propionamide
CasNumber:
1214265-58-3
MolecularFormula:
C25H29ClN6O3
MolecularWeight:
496.9891599999999
MdlNumber:
MFCD28015100
Smiles:
CCC(=O)Nc1cccc(c1)Oc1nc(ncc1Cl)Nc1ccc(cc1OC)N1CCN(CC1)C
Complexity:
667
Covalently-bondedUnitCount:
1
HeavyAtomCount:
35
HydrogenBondAcceptorCount:
8
HydrogenBondDonorCount:
2
RotatableBondCount:
8
Xlogp3:
4.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C=CC(=O)Nc1cccc(c1)Sc1nc(ncc1Cl)Nc1ccc(cc1)N1CCN(CC1)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
C=CC(=O)Nc1cccc(c1)Sc1nc(ncc1Cl)Nc1ccc(cc1)N1CCN(CC1)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AE35822
ChemicalName: XL388
CasNumber: 1251156-08-7
MolecularFormula: C23H22FN3O4S
MolecularWeight: 455.5019
MdlNumber: MFCD24386875
Smiles: O=C(c1ccc(c(c1C)F)S(=O)(=O)C)N1CCOc2c(C1)cc(cc2)c1ccc(=N)[nH]c1
Complexity: 776
Covalently-bondedUnitCount: 1
HeavyAtomCount: 32
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.5
CatalogNumber:
AE35822
ChemicalName:
XL388
CasNumber:
1251156-08-7
MolecularFormula:
C23H22FN3O4S
MolecularWeight:
455.5019
MdlNumber:
MFCD24386875
Smiles:
O=C(c1ccc(c(c1C)F)S(=O)(=O)C)N1CCOc2c(C1)cc(cc2)c1ccc(=N)[nH]c1
Complexity:
776
Covalently-bondedUnitCount:
1
HeavyAtomCount:
32
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOc1cc(ccc1Nc1ncc2c(n1)N(C1CCCC1)c1ccccc1C(=O)N2C)C(=O)N1CCC(CC1)N1CCN(CC1)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOc1cc(ccc1Nc1ncc2c(n1)N(C1CCCC1)c1ccccc1C(=O)N2C)C(=O)N1CCC(CC1)N1CCN(CC1)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__