2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-3-(4-chlorophenyl)-5H-pyrimido[5,4-b]indol-4-one
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2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-3-(4-chlorophenyl)-5H-pyrimido[5,4-b]indol-4-one
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CAS No:
536714-32-6
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Formula:
C24H23ClN4O2S
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Chemical Name:
2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-3-(4-chlorophenyl)-5H-pyrimido[5,4-b]indol-4-one
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Synonyms:
536714-32-6;2-((2-(azepan-1-yl)-2-oxoethyl)thio)-3-(4-chlorophenyl)-3H-pyrimido[5,4-b]indol-4(5H)-one;2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-(4-chlorophenyl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one;Oprea1_018141;CHEMBL1730032;HMS1901N08;ZINC2720912;AKOS002052431;MCULE-2757545766;2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-3-(4-chlorophenyl)-5H-pyrimido[5,4-b]indol-4-one;NCGC00135495-01;G856-1240;F0580-0849;2-[(2-azepan-1-yl-2-oxoethyl)thio]-3-(4-chlorophenyl)-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-chlorophenyl)-5H-pyrimido[5,4-b]indol-4-one Basic Attributes
467.0 g/mol
466.1230249 g/mol
Computed Properties
Molecular Weight:467.0
XLogP3:5.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:466.1230249
Monoisotopic Mass:466.1230249
Topological Polar Surface Area:94.1
Heavy Atom Count:32
Complexity:734
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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