155405-81-5
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 |