501000-36-8
Product Name:
N-[[2-Cyano-4-(2,2-dimethylpropylamino)pyrimidin-5-yl]methyl]-4-(4-methylpiperazin-1-yl)benzamide
Formula:
C23H31N7O
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COMPUTED DESCRIPTORS
| Molecular Weight | 421.5 g/mol |
|---|---|
| XLogP3 | 3.6 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 7 |
| Exact Mass | 421.25900864 g/mol |
| Monoisotopic Mass | 421.25900864 g/mol |
| Topological Polar Surface Area | 97.2 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 624 |
| 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 |