2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-phenyl-5H-pyrimido[5,4-b]indol-4-one
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![2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-phenyl-5H-pyrimido[5,4-b]indol-4-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/6e60b03c315547d78b38616b8de80f83.png "2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-phenyl-5H-pyrimido[5,4-b]indol-4-one")
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-phenyl-5H-pyrimido[5,4-b]indol-4-one
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CAS No:
537668-70-5
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Formula:
C26H20N4O2S
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Chemical Name:
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-phenyl-5H-pyrimido[5,4-b]indol-4-one
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Synonyms:
537668-70-5;2-((2-(indolin-1-yl)-2-oxoethyl)thio)-3-phenyl-3H-pyrimido[5,4-b]indol-4(5H)-one;2-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-3-phenyl-3H,4H,5H-pyrimido[5,4-b]indol-4-one;Oprea1_598312;CHEMBL2136668;HMS1901C18;ZINC2720618;AKOS002054236;MCULE-9586150573;2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-phenyl-5H-pyrimido[5,4-b]indol-4-one;NCGC00135657-01;G856-0820;F0580-0105
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CAS No:
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-phenyl-5H-pyrimido[5,4-b]indol-4-one Basic Attributes
452.5 g/mol
452.13069707 g/mol
Computed Properties
Molecular Weight:452.5
XLogP3:5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:452.13069707
Monoisotopic Mass:452.13069707
Topological Polar Surface Area:94.1
Heavy Atom Count:33
Complexity:797
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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