879565-34-1
Product Name:
6-(pyridin-2-ylmethyl)-2-sulfanylidene-1-[3-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one
Formula:
C19H16F3N5OS
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COMPUTED DESCRIPTORS
| Molecular Weight | 419.4 g/mol |
|---|---|
| XLogP3 | 2.6 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 3 |
| Exact Mass | 419.10276581 g/mol |
| Monoisotopic Mass | 419.10276581 g/mol |
| Topological Polar Surface Area | 92.6 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 698 |
| 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 |