2-[(3-allyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
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![2-[(3-allyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/3e33f9c225ba497c9639d20db94353b5.png "2-[(3-allyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide")
2-[(3-allyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
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CAS No:
304862-31-5
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Formula:
C22H20F3N3O2S2
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Chemical Name:
2-[(3-allyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
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Synonyms:
ZINC729884;AKOS001063327;MCULE-1382846087;ST50051776;AB00722409-01;AF-399/13278061;Z20216604;2-(4-oxo-3-prop-2-enyl(3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin-2 -ylthio))-N-[3-(trifluoromethyl)phenyl]acetamide;2-[(3-allyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide;2-[(3-allyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)thio]-N-[3-(trifluoromethyl)phenyl]acetamide
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CAS No:
2-[(3-allyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide Basic Attributes
479.5383096
479.095
Computed Properties
Molecular Weight:479.5
XLogP3:5.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:6
Exact Mass:479.09490372
Monoisotopic Mass:479.09490372
Topological Polar Surface Area:115
Heavy Atom Count:32
Complexity:776
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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