852451-54-8
Product Name:
2-(1-(3,4-dimethylphenyl)-4-oxo-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl)-N-(3-nitrophenyl)acetamide
Formula:
C21H18N6O4
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COMPUTED DESCRIPTORS
| Molecular Weight | 418.4 g/mol |
|---|---|
| XLogP3 | 2.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 418.13895308 g/mol |
| Monoisotopic Mass | 418.13895308 g/mol |
| Topological Polar Surface Area | 125 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 740 |
| 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 |