12,12-dimethyl-4-(3-methylphenyl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
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![12,12-dimethyl-4-(3-methylphenyl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/1403e686335443a5a24d3b4e3ca7a800.png "12,12-dimethyl-4-(3-methylphenyl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one")
12,12-dimethyl-4-(3-methylphenyl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
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CAS No:
799824-20-7
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Formula:
C27H26N2O2S2
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Chemical Name:
12,12-dimethyl-4-(3-methylphenyl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
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Synonyms:
ZINC2237040;STK549405;AKOS005477341;2-(cinnamylthio)-6,6-dimethyl-3-(m-tolyl)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one;6,6-dimethyl-3-(3-methylphenyl)-2-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one;799824-20-7
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CAS No:
12,12-dimethyl-4-(3-methylphenyl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one Basic Attributes
474.6 g/mol
474.14357042 g/mol
Computed Properties
Molecular Weight:474.6
XLogP3:6.2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:474.14357042
Monoisotopic Mass:474.14357042
Topological Polar Surface Area:95.4
Heavy Atom Count:33
Complexity:776
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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