2-[(4-ethyl-11-methyl-3-oxo-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl)sulfanyl]-N-(4-methylphenyl)acetamide
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![2-[(4-ethyl-11-methyl-3-oxo-8-thia-4,6,11-triazatricyclo[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/20220811/21647cf66edf42c49d4b886a9589134e.png "2-[(4-ethyl-11-methyl-3-oxo-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl)sulfanyl]-N-(4-methylphenyl)acetamide")
2-[(4-ethyl-11-methyl-3-oxo-8-thia-4,6,11-triazatricyclo[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:
841208-00-2
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Formula:
C21H24N4O2S2
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Chemical Name:
2-[(4-ethyl-11-methyl-3-oxo-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl)sulfanyl]-N-(4-methylphenyl)acetamide
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Synonyms:
MLS001146258;CHEMBL1455139;HMS2936H14;STK829865;ZINC20267458;AKOS001492082;MCULE-2785105676;SMR000646937;2-[(3-ethyl-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(4-methylphenyl)acetamide;2-[(3-ethyl-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio]-N-(4-methylphenyl)acetamide;841208-00-2
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CAS No:
2-[(4-ethyl-11-methyl-3-oxo-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl)sulfanyl]-N-(4-methylphenyl)acetamide Basic Attributes
428.6 g/mol
428.13406837 g/mol
Computed Properties
Molecular Weight:428.6
XLogP3:3.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:428.13406837
Monoisotopic Mass:428.13406837
Topological Polar Surface Area:119
Heavy Atom Count:29
Complexity:665
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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