3-(3,5-dimethylphenyl)-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-5H-pyrimido[5,4-b]indol-4-one
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![3-(3,5-dimethylphenyl)-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-5H-pyrimido[5,4-b]indol-4-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/231985272bb14e78b1e225cf8354d868.png "3-(3,5-dimethylphenyl)-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-5H-pyrimido[5,4-b]indol-4-one")
3-(3,5-dimethylphenyl)-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-5H-pyrimido[5,4-b]indol-4-one
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CAS No:
536705-34-7
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Formula:
C26H28N4O2S
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Chemical Name:
3-(3,5-dimethylphenyl)-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-5H-pyrimido[5,4-b]indol-4-one
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Synonyms:
536705-34-7;3-(3,5-dimethylphenyl)-2-((2-(4-methylpiperidin-1-yl)-2-oxoethyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one;3-(3,5-dimethylphenyl)-2-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one;Oprea1_030965;CHEMBL1437177;HMS1901B05;ZINC2720695;AKOS002055187;MCULE-8066236953;NCGC00135467-01;3-(3,5-dimethylphenyl)-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-5H-pyrimido[5,4-b]indol-4-one;G856-0931;F0580-0287;3-(3,5-dimethylphenyl)-2-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]thio}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
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CAS No:
3-(3,5-dimethylphenyl)-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-5H-pyrimido[5,4-b]indol-4-one Basic Attributes
460.6 g/mol
460.19329732 g/mol
Computed Properties
Molecular Weight:460.6
XLogP3:5.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:460.19329732
Monoisotopic Mass:460.19329732
Topological Polar Surface Area:94.1
Heavy Atom Count:33
Complexity:770
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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