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ethyl 2-[[3-(3-methoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetate

ethyl 2-[[3-(3-methoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetate structure

CAS No:
536707-00-3
Formula:
C21H19N3O4S
Chemical Name:
ethyl 2-[[3-(3-methoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetate
Synonyms:
536707-00-3;ethyl {[3-(3-methoxyphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]thio}acetate;ethyl 2-{[3-(3-methoxyphenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetate;ZINC02720747;Oprea1_314806;ZINC2720747;AKOS002052330;MCULE-3402427387;ethyl 2-[[3-(3-methoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetate;F0580-0453;ethyl 2-((3-(3-methoxyphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)acetate

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ethyl 2-[[3-(3-methoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetate Basic Attributes

Molecular Weight：

409.5 g/mol

Exact Mass：

409.10962727 g/mol

Characteristics

PSA：

109 Å²

Computed Properties

Molecular Weight:409.5
XLogP3:4.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:409.10962727
Monoisotopic Mass:409.10962727
Topological Polar Surface Area:109
Heavy Atom Count:29
Complexity:658
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of ethyl 2-[[3-(3-methoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetate

Basic Attributes
Characteristics
Computed Properties
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