N-(4-bromo-2-methylphenyl)-2-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
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![N-(4-bromo-2-methylphenyl)-2-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/2de60b9e51f842d49208aa7212f4ceee.png "N-(4-bromo-2-methylphenyl)-2-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide")
N-(4-bromo-2-methylphenyl)-2-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
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CAS No:
840512-02-9
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Formula:
C22H22BrN3O2S2
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Chemical Name:
N-(4-bromo-2-methylphenyl)-2-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
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Synonyms:
ZINC2265822;STL294488;AKOS002190470;MCULE-5331043335;ST50082032;2-((3-allyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-bromo-2-methylphenyl)acetamide;840512-02-9;N-(4-bromo-2-methylphenyl)-2-(4-oxo-3-prop-2-enyl(3,5,6,7,8-pentahydrobenzo[b] thiopheno[2,3-d]pyrimidin-2-ylthio))acetamide;N-(4-bromo-2-methylphenyl)-2-{[4-oxo-3-(prop-2-en-1-yl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
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CAS No:
N-(4-bromo-2-methylphenyl)-2-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide Basic Attributes
504.5 g/mol
503.03368 g/mol
Computed Properties
Molecular Weight:504.5
XLogP3:5.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:503.03368
Monoisotopic Mass:503.03368
Topological Polar Surface Area:115
Heavy Atom Count:30
Complexity:719
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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