5-[(E)-3-chlorobut-2-enyl]sulfanyl-12,12-dimethyl-4-(3-methylphenyl)-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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![5-[(E)-3-chlorobut-2-enyl]sulfanyl-12,12-dimethyl-4-(3-methylphenyl)-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/20220811/16c3a599e6d64a0f81dbbcddb4e4d6b5.png "5-[(E)-3-chlorobut-2-enyl]sulfanyl-12,12-dimethyl-4-(3-methylphenyl)-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one")
5-[(E)-3-chlorobut-2-enyl]sulfanyl-12,12-dimethyl-4-(3-methylphenyl)-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:
384350-56-5
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Formula:
C22H23ClN2O2S2
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Chemical Name:
5-[(E)-3-chlorobut-2-enyl]sulfanyl-12,12-dimethyl-4-(3-methylphenyl)-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:
STK538836;ZINC13552260;AKOS005469163;2-{[(2E)-3-chlorobut-2-en-1-yl]sulfanyl}-6,6-dimethyl-3-(3-methylphenyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one;384350-56-5
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CAS No:
5-[(E)-3-chlorobut-2-enyl]sulfanyl-12,12-dimethyl-4-(3-methylphenyl)-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one Basic Attributes
447.0 g/mol
446.0889480 g/mol
Computed Properties
Molecular Weight:447.0
XLogP3:5.4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:446.0889480
Monoisotopic Mass:446.0889480
Topological Polar Surface Area:95.4
Heavy Atom Count:29
Complexity:711
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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