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3-(4-nitrophenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-5H-pyrimido[5,4-b]indol-4-one

3-(4-nitrophenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-5H-pyrimido[5,4-b]indol-4-one structure

CAS No:
536716-62-8
Formula:
C22H19N5O4S
Chemical Name:
3-(4-nitrophenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-5H-pyrimido[5,4-b]indol-4-one
Synonyms:
536716-62-8;3-(4-nitrophenyl)-2-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one;3-(4-nitrophenyl)-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one;Oprea1_545508;ZINC2720955;AKOS002052889;MCULE-4836527815;3-(4-nitrophenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-5H-pyrimido[5,4-b]indol-4-one;F0580-1035;3-(4-nitrophenyl)-2-[(2-oxo-2-pyrrolidin-1-ylethyl)thio]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one

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3-(4-nitrophenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-5H-pyrimido[5,4-b]indol-4-one Basic Attributes

Molecular Weight：

449.5 g/mol

Exact Mass：

449.11577528 g/mol

Characteristics

PSA：

140 Å²

Computed Properties

Molecular Weight:449.5
XLogP3:3.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:449.11577528
Monoisotopic Mass:449.11577528
Topological Polar Surface Area:140
Heavy Atom Count:32
Complexity:788
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-(4-nitrophenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-5H-pyrimido[5,4-b]indol-4-one

Basic Attributes
Characteristics
Computed Properties

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