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

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

CAS No:
536716-44-6
Formula:
C21H16F3N3O3S
Chemical Name:
ethyl 2-[[4-oxo-3-[3-(trifluoromethyl)phenyl]-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetate
Synonyms:
536716-44-6;ethyl ({4-oxo-3-[3-(trifluoromethyl)phenyl]-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl}thio)acetate;ethyl 2-({4-oxo-3-[3-(trifluoromethyl)phenyl]-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)acetate;ZINC2720954;AKOS002052802;MCULE-7376654573;ethyl 2-[[4-oxo-3-[3-(trifluoromethyl)phenyl]-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetate;EU-0089084;F0580-1017;ethyl 2-((4-oxo-3-(3-(trifluoromethyl)phenyl)-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)acetate

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

Molecular Weight：

447.4 g/mol

Exact Mass：

447.08644704 g/mol

Characteristics

PSA：

100 Å²

Computed Properties

Molecular Weight:447.4
XLogP3:5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:6
Exact Mass:447.08644704
Monoisotopic Mass:447.08644704
Topological Polar Surface Area:100
Heavy Atom Count:31
Complexity:732
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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

Basic Attributes
Characteristics
Computed Properties
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