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ethyl 4-[[2-[(3-methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetyl]amino]benzoate

ethyl 4-[[2-[(3-methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetyl]amino]benzoate structure

CAS No:
537667-82-6
Formula:
C22H20N4O4S
Chemical Name:
ethyl 4-[[2-[(3-methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetyl]amino]benzoate
Synonyms:
537667-82-6;ethyl 4-(2-((3-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)acetamido)benzoate;ethyl 4-[2-({3-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)acetamido]benzoate;Oprea1_159015;CHEMBL1568157;HMS1901M10;ZINC2720109;AKOS002055278;MCULE-6541201331;ethyl 4-[[2-[(3-methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetyl]amino]benzoate;NCGC00135542-01;EU-0089036;G856-0740;F0580-0017;ethyl 4-({[(3-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio]acetyl}amino)benzoate

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ethyl 4-[[2-[(3-methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetyl]amino]benzoate Basic Attributes

Molecular Weight：

436.5 g/mol

Exact Mass：

436.12052631 g/mol

Characteristics

PSA：

129 Å²

Computed Properties

Molecular Weight:436.5
XLogP3:3.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:436.12052631
Monoisotopic Mass:436.12052631
Topological Polar Surface Area:129
Heavy Atom Count:31
Complexity:737
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of ethyl 4-[[2-[(3-methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetyl]amino]benzoate

Basic Attributes
Characteristics
Computed Properties
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