3-(4-bromophenyl)-2-[(E)-3-phenylprop-2-enyl]sulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
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![3-(4-bromophenyl)-2-[(E)-3-phenylprop-2-enyl]sulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/b78404b93a5e49e1b84b5ee37718f8f6.png "3-(4-bromophenyl)-2-[(E)-3-phenylprop-2-enyl]sulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one")
3-(4-bromophenyl)-2-[(E)-3-phenylprop-2-enyl]sulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
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CAS No:
498546-89-7
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Formula:
C25H21BrN2OS2
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Chemical Name:
3-(4-bromophenyl)-2-[(E)-3-phenylprop-2-enyl]sulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
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Synonyms:
C25H21BrN2OS2;ZINC1801757;STK013288;AKOS002174670;ST50060175;2-((2E)-3-phenylprop-2-enylthio)-3-(4-bromophenyl)-3,5,6,7,8-pentahydrobenzo[b ]thiopheno[2,3-d]pyrimidin-4-one;3-(4-bromophenyl)-2-(cinnamylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one;3-(4-BROMOPHENYL)-2-{[(2E)-3-PHENYL-2-PROPENYL]SULFANYL}-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE;3-(4-bromophenyl)-2-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one;498546-89-7
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CAS No:
3-(4-bromophenyl)-2-[(E)-3-phenylprop-2-enyl]sulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Basic Attributes
509.5 g/mol
508.02787 g/mol
Computed Properties
Molecular Weight:509.5
XLogP3:7.4
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:508.02787
Monoisotopic Mass:508.02787
Topological Polar Surface Area:86.2
Heavy Atom Count:31
Complexity:700
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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