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ethyl 4-[5-(pyridin-3-ylmethyl)-2-sulfanylidene-1,3,5-triazinan-1-yl]benzoate

ethyl 4-[5-(pyridin-3-ylmethyl)-2-sulfanylidene-1,3,5-triazinan-1-yl]benzoate structure

CAS No:
799780-34-0
Formula:
C18H20N4O2S
Chemical Name:
ethyl 4-[5-(pyridin-3-ylmethyl)-2-sulfanylidene-1,3,5-triazinan-1-yl]benzoate
Synonyms:
STK409759;ZINC20168829;AKOS003405837;MCULE-9138193760;ethyl 4-[5-(pyridin-3-ylmethyl)-2-thioxo-1,3,5-triazinan-1-yl]benzoate;799780-34-0

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ethyl 4-[5-(pyridin-3-ylmethyl)-2-sulfanylidene-1,3,5-triazinan-1-yl]benzoate Basic Attributes

Molecular Weight：

356.4 g/mol

Exact Mass：

356.13069707 g/mol

Characteristics

PSA：

89.8 Å²

Computed Properties

Molecular Weight:356.4
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:356.13069707
Monoisotopic Mass:356.13069707
Topological Polar Surface Area:89.8
Heavy Atom Count:25
Complexity:468
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of ethyl 4-[5-(pyridin-3-ylmethyl)-2-sulfanylidene-1,3,5-triazinan-1-yl]benzoate

Basic Attributes
Characteristics
Computed Properties
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