2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-3-[3-(trifluoromethyl)phenyl]-5H-pyrimido[5,4-b]indol-4-one
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![2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-3-[3-(trifluoromethyl)phenyl]-5H-pyrimido[5,4-b]indol-4-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/8b2a7525daa2450990d20bb7df6d427a.png "2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-3-[3-(trifluoromethyl)phenyl]-5H-pyrimido[5,4-b]indol-4-one")
2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-3-[3-(trifluoromethyl)phenyl]-5H-pyrimido[5,4-b]indol-4-one
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CAS No:
536715-64-7
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Formula:
C23H19F3N4O2S
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Chemical Name:
2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-3-[3-(trifluoromethyl)phenyl]-5H-pyrimido[5,4-b]indol-4-one
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Synonyms:
536715-64-7;2-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)-3-(3-(trifluoromethyl)phenyl)-3H-pyrimido[5,4-b]indol-4(5H)-one;2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3-[3-(trifluoromethyl)phenyl]-3H,4H,5H-pyrimido[5,4-b]indol-4-one;CHEMBL1884698;HMS1901D12;ZINC2720948;AKOS002052156;MCULE-5744822261;NCGC00135549-01;2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-3-[3-(trifluoromethyl)phenyl]-5H-pyrimido[5,4-b]indol-4-one;EU-0089054;G856-1285;F0580-0941;2-[(2-oxo-2-pyrrolidin-1-ylethyl)thio]-3-[3-(trifluoromethyl)phenyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
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CAS No:
2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-3-[3-(trifluoromethyl)phenyl]-5H-pyrimido[5,4-b]indol-4-one Basic Attributes
472.5 g/mol
472.11808152 g/mol
Computed Properties
Molecular Weight:472.5
XLogP3:4.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:472.11808152
Monoisotopic Mass:472.11808152
Topological Polar Surface Area:94.1
Heavy Atom Count:33
Complexity:801
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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