2-[[3-(4-fluorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide
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![2-[[3-(4-fluorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/5a76de7d4bf74691ae172ec5f7d8e364.png "2-[[3-(4-fluorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide")
2-[[3-(4-fluorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide
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CAS No:
536711-12-3
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Formula:
C25H16F4N4O3S
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Chemical Name:
2-[[3-(4-fluorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide
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Synonyms:
536711-12-3;2-((3-(4-fluorophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)-N-(4-(trifluoromethoxy)phenyl)acetamide;2-{[3-(4-fluorophenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-[4-(trifluoromethoxy)phenyl]acetamide;2-{[3-(4-fluorophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]thio}-N-[4-(trifluoromethoxy)phenyl]acetamide;ZINC2720866;AKOS001578574;MCULE-7608020988;2-[[3-(4-fluorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide;F0580-0691
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CAS No:
2-[[3-(4-fluorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide Basic Attributes
528.5 g/mol
528.08792421 g/mol
Computed Properties
Molecular Weight:528.5
XLogP3:6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:6
Exact Mass:528.08792421
Monoisotopic Mass:528.08792421
Topological Polar Surface Area:112
Heavy Atom Count:37
Complexity:875
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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