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2-({4-[(1,3-dimethyl-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]phenoxy}methyl)benzonitrile

2-({4-[(1,3-dimethyl-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]phenoxy}methyl)benzonitrile structure

CAS No:
347386-14-5
Formula:
C21H17N3O3S
Chemical Name:
2-({4-[(1,3-dimethyl-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]phenoxy}methyl)benzonitrile
Synonyms:
2-({4-[(1,3-dimethyl-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]phenoxy}methyl)benzonitrile;2-({4-[(1,3-dimethyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]phenoxy}methyl)benzonitrile;ZINC655855;STL363674;AKOS001645021;MCULE-5267490922;ST052778;AH-487/15274034;SR-01000109957;SR-01000109957-1

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2-({4-[(1,3-dimethyl-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]phenoxy}methyl)benzonitrile Basic Attributes

Molecular Weight：

391.44298

Exact Mass：

391.099

Characteristics

PSA：

106

XLogP3：

3.1

Computed Properties

Molecular Weight:391.4
XLogP3:3.1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:391.09906259
Monoisotopic Mass:391.09906259
Topological Polar Surface Area:106
Heavy Atom Count:28
Complexity:692
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-({4-[(1,3-dimethyl-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]phenoxy}methyl)benzonitrile

Basic Attributes
Characteristics
Computed Properties

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