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6-(ethoxymethyl)-5-[(4-propan-2-yloxyphenyl)methyl]-2-sulfanylidene-1H-pyrimidin-4-one

6-(ethoxymethyl)-5-[(4-propan-2-yloxyphenyl)methyl]-2-sulfanylidene-1H-pyrimidin-4-one structure

CAS No:
55342-46-6
Formula:
C17H22N2O3S
Chemical Name:
6-(ethoxymethyl)-5-[(4-propan-2-yloxyphenyl)methyl]-2-sulfanylidene-1H-pyrimidin-4-one
Synonyms:
Oprea1_064647;Oprea1_804085;MLS000703716;CHEMBL1304953;HMS2701M04;STL323888;ZINC15978949;AKOS000506949;MCULE-8009885666;SMR000274081;ST50226327;6-(Ethoxymethyl)-5-(4-isopropoxybenzyl)-2-sulfanyl-4-pyrimidinol #;4-(Ethoxymethyl)-6-hydroxy-5-(4-isopropoxybenzyl)-2-mercaptopyrimidine;6-(ethoxymethyl)-5-[4-(propan-2-yloxy)benzyl]-2-sulfanylpyrimidin-4-ol;6-(ethoxymethyl)-5-{[4-(methylethoxy)phenyl]methyl}-2-sulfanylpyrimidin-4-ol;55342-46-6

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6-(ethoxymethyl)-5-[(4-propan-2-yloxyphenyl)methyl]-2-sulfanylidene-1H-pyrimidin-4-one Basic Attributes

Molecular Weight：

334.4 g/mol

Exact Mass：

334.13511374 g/mol

Characteristics

PSA：

91.7 Å²

XLogP3：

3.3854

Melting Point：

153 - 154 °C (aq. ethanol)

Water Solubility：

>50.2 [ug/mL]

Computed Properties

Molecular Weight:334.4
XLogP3:2.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:7
Exact Mass:334.13511374
Monoisotopic Mass:334.13511374
Topological Polar Surface Area:91.7
Heavy Atom Count:23
Complexity:469
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 6-(ethoxymethyl)-5-[(4-propan-2-yloxyphenyl)methyl]-2-sulfanylidene-1H-pyrimidin-4-one

Basic Attributes
Characteristics
Computed Properties

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