2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-3-(4-methylphenyl)-5H-pyrimido[5,4-b]indol-4-one
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![2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-3-(4-methylphenyl)-5H-pyrimido[5,4-b]indol-4-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/c364c551459847a8b457df2ca9e38b04.png "2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-3-(4-methylphenyl)-5H-pyrimido[5,4-b]indol-4-one")
2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-3-(4-methylphenyl)-5H-pyrimido[5,4-b]indol-4-one
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CAS No:
536704-44-6
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Formula:
C28H24N4O2S
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Chemical Name:
2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-3-(4-methylphenyl)-5H-pyrimido[5,4-b]indol-4-one
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Synonyms:
536704-44-6;2-((2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl)thio)-3-(p-tolyl)-3H-pyrimido[5,4-b]indol-4(5H)-one;3-(4-methylphenyl)-2-{[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]sulfanyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one;Oprea1_444204;CHEMBL1515192;HMS1901O22;ZINC2720659;AKOS002054439;MCULE-6881422928;NCGC00135733-01;2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-3-(4-methylphenyl)-5H-pyrimido[5,4-b]indol-4-one;G856-0880;F0580-0198;2-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]thio}-3-(4-methylphenyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
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CAS No:
2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-3-(4-methylphenyl)-5H-pyrimido[5,4-b]indol-4-one Basic Attributes
480.6 g/mol
480.16199719 g/mol
Computed Properties
Molecular Weight:480.6
XLogP3:5.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:480.16199719
Monoisotopic Mass:480.16199719
Topological Polar Surface Area:94.1
Heavy Atom Count:35
Complexity:841
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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