AB49439
606143-52-6 | Selumetinib
Manufacturer: A2B Chem
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CatalogNumber
AB49439
ChemicalName
Selumetinib
CasNumber
606143-52-6
MolecularFormula
C17H15BrClFN4O3
MolecularWeight
457.6814
MdlNumber
MFCD11977472
Smiles
OCCONC(=O)c1cc2n(C)cnc2c(c1Nc1ccc(cc1Cl)Br)F
NscNumber
741078
Complexity
523
Covalently-bondedUnitCount
1
HeavyAtomCount
27
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
3
RotatableBondCount
6
Xlogp3
3.6
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CatalogNumber: AB49439
ChemicalName: Selumetinib
CasNumber: 606143-52-6
MolecularFormula: C17H15BrClFN4O3
MolecularWeight: 457.6814
MdlNumber: MFCD11977472
Smiles: OCCONC(=O)c1cc2n(C)cnc2c(c1Nc1ccc(cc1Cl)Br)F
NscNumber: 741078
Complexity: 523
Covalently-bondedUnitCount: 1
HeavyAtomCount: 27
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 3
RotatableBondCount: 6
Xlogp3: 3.6
CatalogNumber:
AB49439
ChemicalName:
Selumetinib
CasNumber:
606143-52-6
MolecularFormula:
C17H15BrClFN4O3
MolecularWeight:
457.6814
MdlNumber:
MFCD11977472
Smiles:
OCCONC(=O)c1cc2n(C)cnc2c(c1Nc1ccc(cc1Cl)Br)F
NscNumber:
741078
Complexity:
523
Covalently-bondedUnitCount:
1
HeavyAtomCount:
27
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
3
RotatableBondCount:
6
Xlogp3:
3.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1cccc2c1CCC2
NscNumber: __
Complexity: 188
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1cccc2c1CCC2
NscNumber:
__
Complexity:
188
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1CC2CCCC(C1)N2
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1CC2CCCC(C1)N2
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CNCC/C=C/1c2ccccc2C=Cc2c1cccc2.Cl
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CNCC/C=C/1c2ccccc2C=Cc2c1cccc2.Cl
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__