851124-14-6
Product Name:
ethyl 4-(2-((4-oxo-1-(p-tolyl)-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)thio)acetyl)piperazine-1-carboxylate
Formula:
C21H24N6O4S
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COMPUTED DESCRIPTORS
| Molecular Weight | 456.5 g/mol |
|---|---|
| XLogP3 | 1.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 6 |
| Exact Mass | 456.15797444 g/mol |
| Monoisotopic Mass | 456.15797444 g/mol |
| Topological Polar Surface Area | 134 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 749 |
| 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 |