112434-50-1
Product Name:
7-AMINO-4-OXO-5-PHENYL-2-THIOXO-1,3,5,8-TETRAHYDRO-8-OXAQUINAZOLINE-6-CARBONITRILE
Formula:
C14H10N4O2S
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COMPUTED DESCRIPTORS
Molecular Weight | 298.32 g/mol |
---|---|
XLogP3 | 1.2 |
Hydrogen Bond Donor Count | 3 |
Hydrogen Bond Acceptor Count | 5 |
Rotatable Bond Count | 1 |
Exact Mass | 298.05244675 g/mol |
Monoisotopic Mass | 298.05244675 g/mol |
Topological Polar Surface Area | 132 Ų |
Heavy Atom Count | 21 |
Formal Charge | 0 |
Complexity | 622 |
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 |