2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-3-(4-ethoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one
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![2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-3-(4-ethoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/13b92af688954df8879eb09155691a32.png "2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-3-(4-ethoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one")
2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-3-(4-ethoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one
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CAS No:
536708-14-2
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Formula:
C26H28N4O3S
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Chemical Name:
2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-3-(4-ethoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one
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Synonyms:
536708-14-2;2-((2-(azepan-1-yl)-2-oxoethyl)thio)-3-(4-ethoxyphenyl)-3H-pyrimido[5,4-b]indol-4(5H)-one;2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-(4-ethoxyphenyl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one;Oprea1_027629;CHEMBL1331896;HMS1901P17;ZINC2720808;AKOS002053056;MCULE-6566323517;2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-3-(4-ethoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one;NCGC00135670-01;EU-0022268;G856-1085;F0580-0567;2-[(2-azepan-1-yl-2-oxoethyl)thio]-3-(4-ethoxyphenyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
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CAS No:
2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-3-(4-ethoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one Basic Attributes
476.6 g/mol
476.18821194 g/mol
Computed Properties
Molecular Weight:476.6
XLogP3:4.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:476.18821194
Monoisotopic Mass:476.18821194
Topological Polar Surface Area:103
Heavy Atom Count:34
Complexity:761
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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