929821-21-6
Product Name:
(E)-2-methoxybenzaldehyde O-((7-isobutyl-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl) oxime
Formula:
C22H26N6O2
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COMPUTED DESCRIPTORS
Molecular Weight | 406.5 g/mol |
---|---|
XLogP3 | 4.1 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 7 |
Exact Mass | 406.21172409 g/mol |
Monoisotopic Mass | 406.21172409 g/mol |
Topological Polar Surface Area | 78.8 Ų |
Heavy Atom Count | 30 |
Formal Charge | 0 |
Complexity | 590 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 1 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |