303994-49-2
Product Name:
1-[5-METHYL-7-(4-NITROPHENYL)-4,7-DIHYDRO[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-6-YL]-1-ETHANONE
Formula:
C14H13N5O3
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COMPUTED DESCRIPTORS
Molecular Weight | 299.28 g/mol |
---|---|
XLogP3 | 1.7 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 2 |
Exact Mass | 299.10183929 g/mol |
Monoisotopic Mass | 299.10183929 g/mol |
Topological Polar Surface Area | 106 Ų |
Heavy Atom Count | 22 |
Formal Charge | 0 |
Complexity | 507 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 1 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |