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1022892-14-3

1022892-14-3 structural image
Product Name: 4-(3-METHYL-4-(ISOPROPYL)PHENYL)-3-(4-PYRIDYL)-1,2,4-TRIAZOLINE-5-THIONE
Formula: C17H18N4S
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COMPUTED DESCRIPTORS

Molecular Weight 310.4 g/mol
XLogP3 3.6
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 3
Exact Mass 310.12521776 g/mol
Monoisotopic Mass 310.12521776 g/mol
Topological Polar Surface Area 72.6 Ų
Heavy Atom Count 22
Formal Charge 0
Complexity 442
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes