852441-12-4
Product Name:
methyl 4-(2-(1-(4-chlorophenyl)-4-oxo-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl)acetamido)benzoate
Formula:
C21H16ClN5O4
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COMPUTED DESCRIPTORS
| Molecular Weight | 437.8 g/mol |
|---|---|
| XLogP3 | 2.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Exact Mass | 437.0890817 g/mol |
| Monoisotopic Mass | 437.0890817 g/mol |
| Topological Polar Surface Area | 106 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 719 |
| 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 |