AE11127
1035270-39-3 | Azd4547
Manufacturer: A2B Chem
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CatalogNumber
AE11127
ChemicalName
Azd4547
CasNumber
1035270-39-3
MolecularFormula
C26H33N5O3
MolecularWeight
463.57192
MdlNumber
MFCD22580423
Smiles
COc1cc(CCc2[nH]nc(c2)NC(=O)c2ccc(cc2)N2C[C@H](C)N[C@@H](C2)C)cc(c1)OC
Complexity
622
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
34
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
3
RotatableBondCount
8
Xlogp3
3.9
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CatalogNumber: AE11127
ChemicalName: Azd4547
CasNumber: 1035270-39-3
MolecularFormula: C26H33N5O3
MolecularWeight: 463.57192
MdlNumber: MFCD22580423
Smiles: COc1cc(CCc2[nH]nc(c2)NC(=O)c2ccc(cc2)N2C[C@H](C)N[C@@H](C2)C)cc(c1)OC
Complexity: 622
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 34
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 3
RotatableBondCount: 8
Xlogp3: 3.9
CatalogNumber:
AE11127
ChemicalName:
Azd4547
CasNumber:
1035270-39-3
MolecularFormula:
C26H33N5O3
MolecularWeight:
463.57192
MdlNumber:
MFCD22580423
Smiles:
COc1cc(CCc2[nH]nc(c2)NC(=O)c2ccc(cc2)N2C[C@H](C)N[C@@H](C2)C)cc(c1)OC
Complexity:
622
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
34
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
3
RotatableBondCount:
8
Xlogp3:
3.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: OC(=O)CC1CCC(CC1)c1ccc(cc1)c1nc(C(=O)N)c(nc1C)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
OC(=O)CC1CCC(CC1)c1ccc(cc1)c1nc(C(=O)N)c(nc1C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
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Smiles: OP(=O)(O)O.N#CCC1(CN(C1)S(=O)(=O)CC)n1ncc(c1)c1ncnc2c1cc[nH]2
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OP(=O)(O)O.N#CCC1(CN(C1)S(=O)(=O)CC)n1ncc(c1)c1ncnc2c1cc[nH]2
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(c1ccc(cc1)CN1CCOCC1)N1CCN(CC1)C1CC1.Cl.Cl.O
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(c1ccc(cc1)CN1CCOCC1)N1CCN(CC1)C1CC1.Cl.Cl.O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__