AX50921
478413-45-5 | Methyl 2-(2-((6-(2-cyanophenoxy)pyrimidin-4-yl)oxy)phenyl)acetate
Manufacturer: A2B Chem
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CatalogNumber
AX50921
ChemicalName
Methyl 2-(2-((6-(2-cyanophenoxy)pyrimidin-4-yl)oxy)phenyl)acetate
CasNumber
478413-45-5
MolecularFormula
C20H15N3O4
MolecularWeight
361.3508
MdlNumber
MFCD23380698
Smiles
COC(=O)Cc1ccccc1Oc1ncnc(c1)Oc1ccccc1C#N
Complexity
535
Covalently-bondedUnitCount
1
HeavyAtomCount
27
HydrogenBondAcceptorCount
7
RotatableBondCount
7
Xlogp3
3.4
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CatalogNumber: AX50921
ChemicalName: Methyl 2-(2-((6-(2-cyanophenoxy)pyrimidin-4-yl)oxy)phenyl)acetate
CasNumber: 478413-45-5
MolecularFormula: C20H15N3O4
MolecularWeight: 361.3508
MdlNumber: MFCD23380698
Smiles: COC(=O)Cc1ccccc1Oc1ncnc(c1)Oc1ccccc1C#N
Complexity: 535
Covalently-bondedUnitCount: 1
HeavyAtomCount: 27
HydrogenBondAcceptorCount: 7
RotatableBondCount: 7
Xlogp3: 3.4
CatalogNumber:
AX50921
ChemicalName:
Methyl 2-(2-((6-(2-cyanophenoxy)pyrimidin-4-yl)oxy)phenyl)acetate
CasNumber:
478413-45-5
MolecularFormula:
C20H15N3O4
MolecularWeight:
361.3508
MdlNumber:
MFCD23380698
Smiles:
COC(=O)Cc1ccccc1Oc1ncnc(c1)Oc1ccccc1C#N
Complexity:
535
Covalently-bondedUnitCount:
1
HeavyAtomCount:
27
HydrogenBondAcceptorCount:
7
RotatableBondCount:
7
Xlogp3:
3.4
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Smiles: COC(CC(=O)OC)NC=CC(=O)C(F)(F)F
Complexity: __
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HeavyAtomCount: __
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Smiles:
COC(CC(=O)OC)NC=CC(=O)C(F)(F)F
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__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: CCCCC(Cn1c2cc(ccc2c2c1cc(cc2)B1OC(C(O1)(C)C)(C)C)B1OC(C(O1)(C)C)(C)C)CC
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Smiles:
CCCCC(Cn1c2cc(ccc2c2c1cc(cc2)B1OC(C(O1)(C)C)(C)C)B1OC(C(O1)(C)C)(C)C)CC
Complexity:
__
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RotatableBondCount:
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Smiles: O=C(OC(C)(C)C)Nc1csc(n1)C
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HydrogenBondAcceptorCount: __
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
O=C(OC(C)(C)C)Nc1csc(n1)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
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Xlogp3:
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