2-[[12,12-dimethyl-4-(4-methylphenyl)-3-oxo-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl]-N-(4-methylphenyl)acetamide
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![2-[[12,12-dimethyl-4-(4-methylphenyl)-3-oxo-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl]-N-(4-methylphenyl)acetamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/36f9a3ae57d2462395bc5c7914ad58bc.png "2-[[12,12-dimethyl-4-(4-methylphenyl)-3-oxo-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl]-N-(4-methylphenyl)acetamide")
2-[[12,12-dimethyl-4-(4-methylphenyl)-3-oxo-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl]-N-(4-methylphenyl)acetamide
structure -
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CAS No:
489464-03-1
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Formula:
C27H27N3O2S3
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Chemical Name:
2-[[12,12-dimethyl-4-(4-methylphenyl)-3-oxo-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl]-N-(4-methylphenyl)acetamide
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Synonyms:
ZINC1826881;STK926042;AKOS005642081;MCULE-6466372521;2-{[6,6-dimethyl-3-(4-methylphenyl)-4-oxo-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(4-methylphenyl)acetamide;489464-03-1
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CAS No:
2-[[12,12-dimethyl-4-(4-methylphenyl)-3-oxo-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl]-N-(4-methylphenyl)acetamide Basic Attributes
521.7 g/mol
521.12654063 g/mol
Computed Properties
Molecular Weight:521.7
XLogP3:6.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:521.12654063
Monoisotopic Mass:521.12654063
Topological Polar Surface Area:141
Heavy Atom Count:35
Complexity:834
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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