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388572-68-7

388572-68-7 structural image
Product Name: 4-CHLORO-6,7-DIHYDRO-2-(METHYLTHIO)-7-PHENYL-(5H)-PYRROLO[2,3-D]PYRIMIDINE
Formula: C13H12ClN3S
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COMPUTED DESCRIPTORS

Molecular Weight 277.77 g/mol
XLogP3 4.1
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 2
Exact Mass 277.0440463 g/mol
Monoisotopic Mass 277.0440463 g/mol
Topological Polar Surface Area 54.3 Ų
Heavy Atom Count 18
Formal Charge 0
Complexity 285
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