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]-N-phenylacetamide
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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]-N-phenylacetamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/71660a43b5b647ab8cedfd2219373c74.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]-N-phenylacetamide")
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]-N-phenylacetamide
structure -
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CAS No:
799787-47-6
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Formula:
C20H21N3O2S3
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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]-N-phenylacetamide
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Synonyms:
ZINC2214708;STK829902;AKOS001776639;CCG-124833;MCULE-4229792907;2-{[6,6-dimethyl-2-(methylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]sulfanyl}-N-phenylacetamide;2-{[6,6-dimethyl-2-(methylthio)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]thio}-N-phenylacetamide;799787-47-6
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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]-N-phenylacetamide Basic Attributes
431.6 g/mol
431.07959044 g/mol
Computed Properties
Molecular Weight:431.6
XLogP3:4.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:431.07959044
Monoisotopic Mass:431.07959044
Topological Polar Surface Area:143
Heavy Atom Count:28
Complexity:559
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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