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847915-21-3

847915-21-3 structural image
Product Name: N-[(2E)-3-cyano-1-(3-ethoxypropyl)-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]thiophene-2-carboxamide
Formula: C23H21N5O3S
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COMPUTED DESCRIPTORS

Molecular Weight 447.5 g/mol
XLogP3 2.5
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 6
Exact Mass 447.13651072 g/mol
Monoisotopic Mass 447.13651072 g/mol
Topological Polar Surface Area 127 Ų
Heavy Atom Count 32
Formal Charge 0
Complexity 1070
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