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

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

CAS No:
536715-46-5
Formula:
C20H16ClN3O3S
Chemical Name:
ethyl 2-[[3-(4-chlorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetate
Synonyms:
536715-46-5;ethyl 2-{[3-(4-chlorophenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetate;Oprea1_367044;ZINC2720941;AKOS002053249;MCULE-9532670863;EU-0022290;F0580-0923;ethyl {[3-(4-chlorophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]thio}acetate;ethyl 2-((3-(4-chlorophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)acetate

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

Molecular Weight：

413.9 g/mol

Exact Mass：

413.0600902 g/mol

Characteristics

PSA：

100 Å²

Computed Properties

Molecular Weight:413.9
XLogP3:4.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:413.0600902
Monoisotopic Mass:413.0600902
Topological Polar Surface Area:100
Heavy Atom Count:28
Complexity:638
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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

Basic Attributes
Characteristics
Computed Properties
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