2-[(11-methyl-5-methylsulfanyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraen-3-yl)sulfanyl]-N-(2-methylphenyl)acetamide
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![2-[(11-methyl-5-methylsulfanyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraen-3-yl)sulfanyl]-N-(2-methylphenyl)acetamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/a1d87abf524a45edb86fc7750b9a0cb3.png "2-[(11-methyl-5-methylsulfanyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraen-3-yl)sulfanyl]-N-(2-methylphenyl)acetamide")
2-[(11-methyl-5-methylsulfanyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraen-3-yl)sulfanyl]-N-(2-methylphenyl)acetamide
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CAS No:
847379-99-1
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Formula:
C20H22N4OS3
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Chemical Name:
2-[(11-methyl-5-methylsulfanyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraen-3-yl)sulfanyl]-N-(2-methylphenyl)acetamide
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Synonyms:
STL344861;ZINC20395328;AKOS022132060;MCULE-9888912601;2-{[7-methyl-2-(methylsulfanyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]sulfanyl}-N-(2-methylphenyl)acetamide;847379-99-1
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CAS No:
2-[(11-methyl-5-methylsulfanyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraen-3-yl)sulfanyl]-N-(2-methylphenyl)acetamide Basic Attributes
430.6 g/mol
430.09557486 g/mol
Computed Properties
Molecular Weight:430.6
XLogP3:4.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:430.09557486
Monoisotopic Mass:430.09557486
Topological Polar Surface Area:137
Heavy Atom Count:28
Complexity:554
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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