2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-(4-methoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one
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![2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-(4-methoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/849c7c13d3294628913930c716a2ec35.png "2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-(4-methoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one")
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-(4-methoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one
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CAS No:
536707-28-5
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Formula:
C27H22N4O3S
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Chemical Name:
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-(4-methoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one
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Synonyms:
536707-28-5;2-((2-(indolin-1-yl)-2-oxoethyl)thio)-3-(4-methoxyphenyl)-3H-pyrimido[5,4-b]indol-4(5H)-one;2-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-3-(4-methoxyphenyl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one;Oprea1_112621;CHEMBL1449251;HMS1901L13;ZINC2720760;AKOS002053331;MCULE-6779731244;NCGC00135605-01;2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-(4-methoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one;EU-0022277;G856-1034;F0580-0481;2-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]thio}-3-(4-methoxyphenyl)-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-methoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one Basic Attributes
482.6 g/mol
482.14126175 g/mol
Computed Properties
Molecular Weight:482.6
XLogP3:4.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:482.14126175
Monoisotopic Mass:482.14126175
Topological Polar Surface Area:103
Heavy Atom Count:35
Complexity:844
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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