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5-(1,3-benzodioxol-5-ylmethyliminomethyl)-6-hydroxy-1-(2-methylphenyl)-2-sulfanylidenepyrimidin-4-one

5-(1,3-benzodioxol-5-ylmethyliminomethyl)-6-hydroxy-1-(2-methylphenyl)-2-sulfanylidenepyrimidin-4-one structure

CAS No:
586994-89-0
Formula:
C20H17N3O4S
Chemical Name:
5-(1,3-benzodioxol-5-ylmethyliminomethyl)-6-hydroxy-1-(2-methylphenyl)-2-sulfanylidenepyrimidin-4-one
Synonyms:
ZINC5928076;STK561154;AKOS005486657;AKOS032386448;ZINC101086053;MCULE-1653931344;(5Z)-5-{[(1,3-benzodioxol-5-ylmethyl)amino]methylidene}-1-(2-methylphenyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione;586994-89-0

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5-(1,3-benzodioxol-5-ylmethyliminomethyl)-6-hydroxy-1-(2-methylphenyl)-2-sulfanylidenepyrimidin-4-one Basic Attributes

Molecular Weight：

395.4 g/mol

Exact Mass：

395.09397721 g/mol

Characteristics

PSA：

116 Å²

Computed Properties

Molecular Weight:395.4
XLogP3:2.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:395.09397721
Monoisotopic Mass:395.09397721
Topological Polar Surface Area:116
Heavy Atom Count:28
Complexity:695
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-(1,3-benzodioxol-5-ylmethyliminomethyl)-6-hydroxy-1-(2-methylphenyl)-2-sulfanylidenepyrimidin-4-one

Basic Attributes
Characteristics
Computed Properties

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