2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-(4-methylphenyl)-5H-pyrimido[5,4-b]indol-4-one
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![2-[2-(2,3-dihydroindol-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/b8d8b9f73aec4c7c9bf1d3969c79b1b3.png "2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-(4-methylphenyl)-5H-pyrimido[5,4-b]indol-4-one")
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-(4-methylphenyl)-5H-pyrimido[5,4-b]indol-4-one
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CAS No:
536704-45-7
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Formula:
C27H22N4O2S
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Chemical Name:
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-(4-methylphenyl)-5H-pyrimido[5,4-b]indol-4-one
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Synonyms:
536704-45-7;2-((2-(indolin-1-yl)-2-oxoethyl)thio)-3-(p-tolyl)-3H-pyrimido[5,4-b]indol-4(5H)-one;2-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-3-(4-methylphenyl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one;Oprea1_459294;CHEMBL2360231;HMS1901B01;ZINC2720660;AKOS002054542;MCULE-3712992229;NCGC00135403-01;2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-(4-methylphenyl)-5H-pyrimido[5,4-b]indol-4-one;EU-0055825;G856-0881;F0580-0199;2-{[2-(2,3-dihydro-1H-indol-1-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-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-(4-methylphenyl)-5H-pyrimido[5,4-b]indol-4-one Basic Attributes
466.6 g/mol
466.14634713 g/mol
Computed Properties
Molecular Weight:466.6
XLogP3:5.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:466.14634713
Monoisotopic Mass:466.14634713
Topological Polar Surface Area:94.1
Heavy Atom Count:34
Complexity:825
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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