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-(3-methoxyphenyl)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-(3-methoxyphenyl)acetamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/ab487fee4618419da25cd14d7b62f516.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-(3-methoxyphenyl)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-(3-methoxyphenyl)acetamide
structure -
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CAS No:
799807-90-2
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Formula:
C21H23N3O3S3
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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-(3-methoxyphenyl)acetamide
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Synonyms:
ZINC2228805;STK829904;AKOS001491997;MCULE-2194929828;2-{[6,6-dimethyl-2-(methylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]sulfanyl}-N-(3-methoxyphenyl)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-(3-methoxyphenyl)acetamide;799807-90-2
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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-(3-methoxyphenyl)acetamide Basic Attributes
461.6 g/mol
461.09015512 g/mol
Computed Properties
Molecular Weight:461.6
XLogP3:4.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:6
Exact Mass:461.09015512
Monoisotopic Mass:461.09015512
Topological Polar Surface Area:152
Heavy Atom Count:30
Complexity:611
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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