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-(2-phenylethyl)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]-N-(2-phenylethyl)acetamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/53b61b87dd354561ad9286081b1ac394.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-(2-phenylethyl)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]-N-(2-phenylethyl)acetamide
structure -
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CAS No:
799781-11-6
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Formula:
C22H25N3O2S3
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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-(2-phenylethyl)acetamide
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Synonyms:
ZINC2211984;STK829907;AKOS001492023;MCULE-9847882212;2-{[6,6-dimethyl-2-(methylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]sulfanyl}-N-(2-phenylethyl)acetamide;2-{[6,6-dimethyl-2-(methylthio)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]thio}-N-(2-phenylethyl)acetamide;799781-11-6
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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-(2-phenylethyl)acetamide Basic Attributes
459.7 g/mol
459.11089057 g/mol
Computed Properties
Molecular Weight:459.7
XLogP3:4.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:459.11089057
Monoisotopic Mass:459.11089057
Topological Polar Surface Area:143
Heavy Atom Count:30
Complexity:588
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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