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4-({5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl}({[6-({5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl}(6-methoxyquinolin-4-yl)methoxy)-5-(penta-1,3-dien-3-yl)-2-phenylpyrimidin-4-yl]oxy})methyl)-6-methoxyquinoline

4-({5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl}({[6-({5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl}(6-methoxyquinolin-4-yl)methoxy)-5-(penta-1,3-dien-3-yl)-2-phenylpyrimidin-4-yl]oxy})methyl)-6-methoxyquinoline

Formula: C55H58N6O4

SMILES: COC1=CC2=C(C=CN=C2C=C1)C(OC1=NC(=NC(OC(C2CC3CCN2CC3C=C)C2=C3C=C(OC)C=CC3=NC=C2)=C1C(=CC)C=C)C1=CC=CC=C1)C1CC2CCN1CC2C=C

IUPAC: 4-({5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl}({[6-({5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl}(6-methoxyquinolin-4-yl)methoxy)-5-(penta-1,3-dien-3-yl)-2-phenylpyrimidin-4-yl]oxy})methyl)-6-methoxyquinoline

InChI: InChI=1/C55H58N6O4/c1-7-34(8-2)50-54(64-51(48-28-38-22-26-60(48)32-35(38)9-3)42-20-24-56-46-18-16-40(62-5)30-44(42)46)58-53(37-14-12-11-13-15-37)59-55(50)65-52(49-29-39-23-27-61(49)33-36(39)10-4)43-21-25-57-47-19-17-41(63-6)31-45(43)47/h7-21,24-25,30-31,3

Composition: C (76.18%), H (6.74%), N (9.69%), O (7.38%)

Molar Mass: 867.107

Atom Count: 123

Heavy Atom Count: 65

Properties
Properties
Common Names N/A
Aromatic Ring Count 6
Asymmetric Atom Count 10
Exact Mass 866.451954372
Formal Charge 0
FSP3 0.35
Hetero Ring Count 7
Hydrogen Bond Acceptor Count 10
Hydrogen Bond Donor Count 0
InChIKey BUWFCHMWEGSCSQ-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 268.84
Topological Polar Surface Area 94.96
Polarizability 102.96
Ring Count 10
Rotatable Bond Count 15

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Purity (%)
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Molecule Market Select
Purity LeadTime Formula UnitPrice
98% <10 Days C55H58N6O4 Quote Only