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155405-81-5

155405-81-5 structural image
Product Name: N-[4-[2-(2-Amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-L-glutamic acid 1,5-dimethyl ester
Formula: C22H25N5O6
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COMPUTED DESCRIPTORS

Molecular Weight 455.5 g/mol
XLogP3 0.9
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 11
Exact Mass 455.18048353 g/mol
Monoisotopic Mass 455.18048353 g/mol
Topological Polar Surface Area 165 Ų
Heavy Atom Count 33
Formal Charge 0
Complexity 779
Isotope Atom Count 0
Defined Atom Stereocenter Count 1
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes