2-[(E)-3-phenylprop-2-enyl]sulfanyl-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
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2-[(E)-3-phenylprop-2-enyl]sulfanyl-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
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CAS No:
468079-62-1
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Formula:
C22H22N2OS2
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Chemical Name:
2-[(E)-3-phenylprop-2-enyl]sulfanyl-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
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Synonyms:
ZINC2447988;STL340024;AKOS002190445;ST50081973;2-((2E)-3-phenylprop-2-enylthio)-3-prop-2-enyl-3,5,6,7,8-pentahydrobenzo[b]thi opheno[2,3-d]pyrimidin-4-one;2-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-3-(prop-2-en-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one;3-allyl-2-{[(2E)-3-phenyl-2-propenyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one;468079-62-1
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CAS No:
2-[(E)-3-phenylprop-2-enyl]sulfanyl-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Basic Attributes
394.6 g/mol
394.11735568 g/mol
Computed Properties
Molecular Weight:394.6
XLogP3:5.8
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:394.11735568
Monoisotopic Mass:394.11735568
Topological Polar Surface Area:86.2
Heavy Atom Count:27
Complexity:611
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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