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338394-96-0

338394-96-0 structural image
Product Name: N-[1-METHYL-5-(METHYLSULFANYL)-1H-1,2,4-TRIAZOL-3-YL]-3-([(4-NITROBENZYL)OXY]IMINO)PROPANAMIDE
Formula: C14H16N6O4S
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COMPUTED DESCRIPTORS

Molecular Weight 364.38 g/mol
XLogP3 1.9
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 7
Exact Mass 364.09537419 g/mol
Monoisotopic Mass 364.09537419 g/mol
Topological Polar Surface Area 153 Ų
Heavy Atom Count 25
Formal Charge 0
Complexity 480
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