3-methyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-5H-pyrimido[5,4-b]indol-4-one
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![3-methyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-5H-pyrimido[5,4-b]indol-4-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/6b64fa278fbf4622acd1236fc58b5704.png "3-methyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-5H-pyrimido[5,4-b]indol-4-one")
3-methyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-5H-pyrimido[5,4-b]indol-4-one
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CAS No:
537668-38-5
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Formula:
C19H14F3N3OS
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Chemical Name:
3-methyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-5H-pyrimido[5,4-b]indol-4-one
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Synonyms:
537668-38-5;3-methyl-2-((3-(trifluoromethyl)benzyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one;3-methyl-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one;ZINC2720598;AKOS002054235;MCULE-4193550893;3-methyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-5H-pyrimido[5,4-b]indol-4-one;EU-0022284;F0580-0073;3-methyl-2-{[3-(trifluoromethyl)benzyl]thio}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
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CAS No:
3-methyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-5H-pyrimido[5,4-b]indol-4-one Basic Attributes
389.4 g/mol
389.08096774 g/mol
Computed Properties
Molecular Weight:389.4
XLogP3:4.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:389.08096774
Monoisotopic Mass:389.08096774
Topological Polar Surface Area:73.8
Heavy Atom Count:27
Complexity:612
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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