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

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

CAS No:
536705-12-1
Formula:
C21H19N3O3S
Chemical Name:
ethyl 2-[[3-(4-methylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetate
Synonyms:
536705-12-1;ethyl {[3-(4-methylphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]thio}acetate;ethyl 2-{[3-(4-methylphenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetate;Oprea1_062537;IFLab1_002182;HMS1418D04;ZINC2720686;AKOS002054137;MCULE-2293004643;ethyl 2-[[3-(4-methylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetate;EU-0055776;F0580-0265;ethyl 2-((4-oxo-3-(p-tolyl)-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)acetate

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

Molecular Weight：

393.5 g/mol

Exact Mass：

393.11471265 g/mol

Characteristics

PSA：

100 Å²

Computed Properties

Molecular Weight:393.5
XLogP3:4.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:393.11471265
Monoisotopic Mass:393.11471265
Topological Polar Surface Area:100
Heavy Atom Count:28
Complexity:632
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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

Basic Attributes
Characteristics
Computed Properties
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