571155-43-6
Product Name:
5-Pyrimidinecarbonitrile, 1,2,3,4-tetrahydro-6-(2-methoxyphenyl)-4-oxo-2-thioxo-
Formula:
C12H9N3O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 259.29 g/mol |
|---|---|
| XLogP3 | 1.2 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 259.04154771 g/mol |
| Monoisotopic Mass | 259.04154771 g/mol |
| Topological Polar Surface Area | 106 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 463 |
| 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 |