2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-(4-fluorophenyl)-5H-pyrimido[5,4-b]indol-4-one
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![2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-(4-fluorophenyl)-5H-pyrimido[5,4-b]indol-4-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/bef0c630167e4cffb57c998df9c8a55d.png "2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-(4-fluorophenyl)-5H-pyrimido[5,4-b]indol-4-one")
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-(4-fluorophenyl)-5H-pyrimido[5,4-b]indol-4-one
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CAS No:
536710-80-2
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Formula:
C26H19FN4O2S
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Chemical Name:
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-(4-fluorophenyl)-5H-pyrimido[5,4-b]indol-4-one
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Synonyms:
536710-80-2;2-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-3-(4-fluorophenyl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one;3-(4-fluorophenyl)-2-((2-(indolin-1-yl)-2-oxoethyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one;CHEMBL2357636;HMS1901H02;ZINC2720848;AKOS002052517;MCULE-1342144861;NCGC00135393-01;2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-(4-fluorophenyl)-5H-pyrimido[5,4-b]indol-4-one;G856-1135;F0580-0669;2-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]thio}-3-(4-fluorophenyl)-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-fluorophenyl)-5H-pyrimido[5,4-b]indol-4-one Basic Attributes
470.5 g/mol
470.12127520 g/mol
Computed Properties
Molecular Weight:470.5
XLogP3:5.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:470.12127520
Monoisotopic Mass:470.12127520
Topological Polar Surface Area:94.1
Heavy Atom Count:34
Complexity:832
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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