2-[(12,12-dimethyl-5-methylsulfanyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraen-3-yl)sulfanyl]acetamide
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![2-[(12,12-dimethyl-5-methylsulfanyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraen-3-yl)sulfanyl]acetamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/47626b50e7ec4357a5d26cdec9bb2b37.png "2-[(12,12-dimethyl-5-methylsulfanyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraen-3-yl)sulfanyl]acetamide")
2-[(12,12-dimethyl-5-methylsulfanyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraen-3-yl)sulfanyl]acetamide
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CAS No:
799798-89-3
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Formula:
C14H17N3O2S3
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Chemical Name:
2-[(12,12-dimethyl-5-methylsulfanyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraen-3-yl)sulfanyl]acetamide
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Synonyms:
ZINC2221667;STK843945;AKOS001776977;CCG-124835;MCULE-1723346668;2-{[6,6-dimethyl-2-(methylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide;2-{[6,6-dimethyl-2-(methylthio)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]thio}acetamide;799798-89-3
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CAS No:
2-[(12,12-dimethyl-5-methylsulfanyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraen-3-yl)sulfanyl]acetamide Basic Attributes
355.5 g/mol
355.04829031 g/mol
Computed Properties
Molecular Weight:355.5
XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:355.04829031
Monoisotopic Mass:355.04829031
Topological Polar Surface Area:157
Heavy Atom Count:22
Complexity:438
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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