446276-11-5
Product Name:
METHYL 3-[5-CYANO-2,4-DIOXO-3,4-DIHYDRO-1(2H)-PYRIMIDINYL]-2-THIOPHENECARBOXYLATE
Formula:
C11H7N3O4S
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COMPUTED DESCRIPTORS
Molecular Weight | 277.26 g/mol |
---|---|
XLogP3 | 0.6 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 3 |
Exact Mass | 277.01572689 g/mol |
Monoisotopic Mass | 277.01572689 g/mol |
Topological Polar Surface Area | 128 Ų |
Heavy Atom Count | 19 |
Formal Charge | 0 |
Complexity | 521 |
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 |