2-[(12,12-dimethyl-3-oxo-4-phenyl-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl)sulfanyl]-N-(2-methylphenyl)acetamide
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2-[(12,12-dimethyl-3-oxo-4-phenyl-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl)sulfanyl]-N-(2-methylphenyl)acetamide
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CAS No:
499211-47-1
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Formula:
C26H25N3O2S3
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Chemical Name:
2-[(12,12-dimethyl-3-oxo-4-phenyl-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl)sulfanyl]-N-(2-methylphenyl)acetamide
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Synonyms:
ZINC2357046;STK544031;AKOS005472979;MCULE-9455258583;2-[(6,6-dimethyl-4-oxo-3-phenyl-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(2-methylphenyl)acetamide;499211-47-1
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CAS No:
2-[(12,12-dimethyl-3-oxo-4-phenyl-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl)sulfanyl]-N-(2-methylphenyl)acetamide Basic Attributes
507.7 g/mol
507.11089057 g/mol
Computed Properties
Molecular Weight:507.7
XLogP3:5.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:507.11089057
Monoisotopic Mass:507.11089057
Topological Polar Surface Area:141
Heavy Atom Count:34
Complexity:813
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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