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489464-79-1

489464-79-1 structural image
Product Name: 4-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione
Formula: C18H18N4O3S
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COMPUTED DESCRIPTORS

Molecular Weight 370.4 g/mol
XLogP3 3.2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 7
Exact Mass 370.10996162 g/mol
Monoisotopic Mass 370.10996162 g/mol
Topological Polar Surface Area 99.8 Ų
Heavy Atom Count 26
Formal Charge 0
Complexity 537
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes