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148367-92-4

148367-92-4 structural image
Product Name: ETHYL 4-(4-TERT-BUTYLPHENYL)-5-CYANAMIDE-4,5-DIHYDRO-1,3,4-THIADIAZOLE-2-CARBOXYLATE
Formula: C16H18N4O2S
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COMPUTED DESCRIPTORS

Molecular Weight 330.4 g/mol
XLogP3 4.7
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 5
Exact Mass 330.11504700 g/mol
Monoisotopic Mass 330.11504700 g/mol
Topological Polar Surface Area 103 Ų
Heavy Atom Count 23
Formal Charge 0
Complexity 562
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