Benzo[b]thiophene-5-carbonitrile, 2-[5-Methyl-2-[[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]aMino]-4-pyriMidinyl]-
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![Benzo[b]thiophene-5-carbonitrile, 2-[5-Methyl-2-[[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]aMino]-4-pyriMidinyl]- structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/dd59e607911d4340a67b25011b312d76.png "Benzo[b]thiophene-5-carbonitrile, 2-[5-Methyl-2-[[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]aMino]-4-pyriMidinyl]-")
Benzo[b]thiophene-5-carbonitrile, 2-[5-Methyl-2-[[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]aMino]-4-pyriMidinyl]-
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CAS No:
1138474-61-9
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Formula:
C26H25N5OS
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Chemical Name:
Benzo[b]thiophene-5-carbonitrile, 2-[5-Methyl-2-[[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]aMino]-4-pyriMidinyl]-
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Synonyms:
2-(5-Methyl-2-((4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)amino)pyrimidin-4-yl)benzo[b]thiophene-5-carbonitrile;TG101976;SCHEMBL3967636;DTXSID80649496;ZINC59239758;2-(5-Methyl-2-{4-[2-(pyrrolidin-1-yl)ethoxy]anilino}pyrimidin-4-yl)-1-benzothiophene-5-carbonitrile;2-[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]-1-benzothiophene-5-carbonitrile
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CAS No:
Benzo[b]thiophene-5-carbonitrile, 2-[5-Methyl-2-[[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]aMino]-4-pyriMidinyl]- Basic Attributes
455.5746
455.17800
DTXSID80649496
2934999090
Computed Properties
Molecular Weight:455.6
XLogP3:5.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:455.17798161
Monoisotopic Mass:455.17798161
Topological Polar Surface Area:102
Heavy Atom Count:33
Complexity:671
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Benzo[b]thiophene-5-carbonitrile, 2-[5-Methyl-2-[[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]aMino]-4-pyriMidinyl]-
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