N-(1,3-benzodioxol-5-yl)-2-[[3-(3,5-dimethylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide
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![N-(1,3-benzodioxol-5-yl)-2-[[3-(3,5-dimethylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/8b3f5444add24e458f5a7e438c8ff32d.png "N-(1,3-benzodioxol-5-yl)-2-[[3-(3,5-dimethylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide")
N-(1,3-benzodioxol-5-yl)-2-[[3-(3,5-dimethylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide
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CAS No:
536705-60-9
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Formula:
C27H22N4O4S
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Chemical Name:
N-(1,3-benzodioxol-5-yl)-2-[[3-(3,5-dimethylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide
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Synonyms:
536705-60-9;N-(2H-1,3-benzodioxol-5-yl)-2-{[3-(3,5-dimethylphenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide;N-(benzo[d][1,3]dioxol-5-yl)-2-((3-(3,5-dimethylphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)acetamide;CHEMBL1592008;HMS1901B07;ZINC2720703;AKOS001578547;MCULE-2188548671;NCGC00135499-01;N-(1,3-benzodioxol-5-yl)-2-[[3-(3,5-dimethylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide;EU-0089030;G856-0949;F0580-0313;N-1,3-benzodioxol-5-yl-2-{[3-(3,5-dimethylphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]thio}acetamide
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CAS No:
N-(1,3-benzodioxol-5-yl)-2-[[3-(3,5-dimethylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide Basic Attributes
498.6 g/mol
498.13617637 g/mol
Computed Properties
Molecular Weight:498.6
XLogP3:5.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:498.13617637
Monoisotopic Mass:498.13617637
Topological Polar Surface Area:121
Heavy Atom Count:36
Complexity:876
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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