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651744-40-0

651744-40-0 structural image
Product Name: ETHYL 5-ISOPROPYL-4-OXO-3,4-DIHYDROPYRROLO[2,1-F][1,2,4]TRIAZINE-6-CARBOXYLATE
Formula: C12H15N3O3
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COMPUTED DESCRIPTORS

Molecular Weight 249.27 g/mol
XLogP3 1.6
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 4
Exact Mass 249.11134135 g/mol
Monoisotopic Mass 249.11134135 g/mol
Topological Polar Surface Area 72.7 Ų
Heavy Atom Count 18
Formal Charge 0
Complexity 381
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