11-(4-chlorophenyl)-10-[(E)-3-phenylprop-2-enyl]sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
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![11-(4-chlorophenyl)-10-[(E)-3-phenylprop-2-enyl]sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/146d9f6c20e34f09833f0b73fa1423e6.png "11-(4-chlorophenyl)-10-[(E)-3-phenylprop-2-enyl]sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one")
11-(4-chlorophenyl)-10-[(E)-3-phenylprop-2-enyl]sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
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CAS No:
678972-78-6
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Formula:
C24H19ClN2OS2
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Chemical Name:
11-(4-chlorophenyl)-10-[(E)-3-phenylprop-2-enyl]sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
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Synonyms:
C24H19ClN2OS2;ZINC2259981;STK554010;AKOS005480764;3-(4-chlorophenyl)-2-(cinnamylthio)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one;3-(4-CHLOROPHENYL)-2-{[(2E)-3-PHENYL-2-PROPENYL]SULFANYL}-3,5,6,7-TETRAHYDRO-4H-CYCLOPENTA[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE;3-(4-chlorophenyl)-2-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one;678972-78-6
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CAS No:
11-(4-chlorophenyl)-10-[(E)-3-phenylprop-2-enyl]sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one Basic Attributes
451.0 g/mol
450.0627333 g/mol
Computed Properties
Molecular Weight:451.0
XLogP3:6.8
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:450.0627333
Monoisotopic Mass:450.0627333
Topological Polar Surface Area:86.2
Heavy Atom Count:30
Complexity:685
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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