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

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

CAS No:
536716-78-6
Formula:
C27H21N5O6S
Chemical Name:
ethyl 4-[[2-[[3-(4-nitrophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetyl]amino]benzoate
Synonyms:
536716-78-6;ethyl 4-(2-((3-(4-nitrophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)acetamido)benzoate;ethyl 4-(2-{[3-(4-nitrophenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamido)benzoate;Oprea1_580502;ZINC2720961;AKOS024585335;MCULE-6185750804;ethyl 4-[[2-[[3-(4-nitrophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetyl]amino]benzoate;AB00668883-01;F0580-1051

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

Molecular Weight：

543.6 g/mol

Exact Mass：

543.12125458 g/mol

Characteristics

PSA：

175 Å²

Computed Properties

Molecular Weight:543.6
XLogP3:4.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:8
Exact Mass:543.12125458
Monoisotopic Mass:543.12125458
Topological Polar Surface Area:175
Heavy Atom Count:39
Complexity:972
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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

Basic Attributes
Characteristics
Computed Properties
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