 Home > Encyclopedia > 5-(1,3-benzodioxol-5-ylmethyliminomethyl)-6-hydroxy-1-(3-methoxyphenyl)-2-sulfanylidenepyrimidin-4-one

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

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

CAS No:
587001-63-6
Formula:
C20H17N3O5S
Chemical Name:
5-(1,3-benzodioxol-5-ylmethyliminomethyl)-6-hydroxy-1-(3-methoxyphenyl)-2-sulfanylidenepyrimidin-4-one
Synonyms:
ZINC5926238;STL037958;AKOS005691428;AKOS032386821;ZINC101090075;MCULE-7554142637;(5Z)-5-{[(1,3-benzodioxol-5-ylmethyl)amino]methylidene}-1-(3-methoxyphenyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione;587001-63-6

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

Molecular Weight：

411.4 g/mol

Exact Mass：

411.08889182 g/mol

Characteristics

PSA：

125 Å²

Computed Properties

Molecular Weight:411.4
XLogP3:2.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:411.08889182
Monoisotopic Mass:411.08889182
Topological Polar Surface Area:125
Heavy Atom Count:29
Complexity:712
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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

Basic Attributes
Characteristics
Computed Properties

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