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2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-3-(4-fluorophenyl)-5H-pyrimido[5,4-b]indol-4-one

2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-3-(4-fluorophenyl)-5H-pyrimido[5,4-b]indol-4-one structure

CAS No:
536710-65-3
Formula:
C24H23FN4O2S
Chemical Name:
2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-3-(4-fluorophenyl)-5H-pyrimido[5,4-b]indol-4-one
Synonyms:
536710-65-3;2-((2-(azepan-1-yl)-2-oxoethyl)thio)-3-(4-fluorophenyl)-3H-pyrimido[5,4-b]indol-4(5H)-one;2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-(4-fluorophenyl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one;Oprea1_785667;CHEMBL1473293;HMS1901D02;ZINC2720845;AKOS002052149;MCULE-9386834941;2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-3-(4-fluorophenyl)-5H-pyrimido[5,4-b]indol-4-one;NCGC00135389-01;EU-0055778;G856-1131;F0580-0661;2-[(2-azepan-1-yl-2-oxoethyl)thio]-3-(4-fluorophenyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one

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2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-3-(4-fluorophenyl)-5H-pyrimido[5,4-b]indol-4-one Basic Attributes

Molecular Weight：

450.5 g/mol

Exact Mass：

450.15257532 g/mol

Characteristics

PSA：

94.1 Å²

Computed Properties

Molecular Weight:450.5
XLogP3:4.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:450.15257532
Monoisotopic Mass:450.15257532
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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Guide of 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-3-(4-fluorophenyl)-5H-pyrimido[5,4-b]indol-4-one

Basic Attributes
Characteristics
Computed Properties

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