863003-45-6
Product Name:
5-(benzylthio)-1,3-dimethyl-7-phenylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Formula:
C21H18N4O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 390.5 g/mol |
|---|---|
| XLogP3 | 3.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 390.11504700 g/mol |
| Monoisotopic Mass | 390.11504700 g/mol |
| Topological Polar Surface Area | 91.7 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 577 |
| 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 |