AX06836
1956318-44-7 | 1-(4-((6-Chloro-2-methylpyrimidin-4-yl)amino)-3-fluorophenyl)-3-(4-fluorophenyl)urea
Manufacturer: A2B Chem
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CatalogNumber
AX06836
ChemicalName
1-(4-((6-Chloro-2-methylpyrimidin-4-yl)amino)-3-fluorophenyl)-3-(4-fluorophenyl)urea
CasNumber
1956318-44-7
MolecularFormula
C18H14ClF2N5O
MolecularWeight
389.7865
MdlNumber
MFCD28991962
Smiles
O=C(Nc1ccc(cc1)F)Nc1ccc(c(c1)F)Nc1cc(Cl)nc(n1)C
Complexity
494
Covalently-bondedUnitCount
1
HeavyAtomCount
27
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
3
RotatableBondCount
4
Xlogp3
4.2
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CatalogNumber: AX06836
ChemicalName: 1-(4-((6-Chloro-2-methylpyrimidin-4-yl)amino)-3-fluorophenyl)-3-(4-fluorophenyl)urea
CasNumber: 1956318-44-7
MolecularFormula: C18H14ClF2N5O
MolecularWeight: 389.7865
MdlNumber: MFCD28991962
Smiles: O=C(Nc1ccc(cc1)F)Nc1ccc(c(c1)F)Nc1cc(Cl)nc(n1)C
Complexity: 494
Covalently-bondedUnitCount: 1
HeavyAtomCount: 27
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 3
RotatableBondCount: 4
Xlogp3: 4.2
CatalogNumber:
AX06836
ChemicalName:
1-(4-((6-Chloro-2-methylpyrimidin-4-yl)amino)-3-fluorophenyl)-3-(4-fluorophenyl)urea
CasNumber:
1956318-44-7
MolecularFormula:
C18H14ClF2N5O
MolecularWeight:
389.7865
MdlNumber:
MFCD28991962
Smiles:
O=C(Nc1ccc(cc1)F)Nc1ccc(c(c1)F)Nc1cc(Cl)nc(n1)C
Complexity:
494
Covalently-bondedUnitCount:
1
HeavyAtomCount:
27
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
3
RotatableBondCount:
4
Xlogp3:
4.2
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Smiles: OC(=O)C(F)(F)F.NCCC(=O)N1Cc2ccccc2C#Cc2c1cccc2
Complexity: __
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Smiles:
OC(=O)C(F)(F)F.NCCC(=O)N1Cc2ccccc2C#Cc2c1cccc2
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
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RotatableBondCount:
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Smiles: CN1C([2H])([2H])C([2H])([2H])NC(C1([2H])[2H])([2H])[2H]
Complexity: __
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Smiles:
CN1C([2H])([2H])C([2H])([2H])NC(C1([2H])[2H])([2H])[2H]
Complexity:
__
Covalently-bondedUnitCount:
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RotatableBondCount:
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Smiles: O=C(N1CC2CCC(C1)(N2C(=O)OC(C)(C)C)C(=O)O)OCc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
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HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N1CC2CCC(C1)(N2C(=O)OC(C)(C)C)C(=O)O)OCc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__