929864-21-1
Product Name:
[1-(2-chloro-7H-purin-6-yl)piperidin-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
Formula:
C22H26ClN7O2
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 455.9 g/mol |
|---|---|
| XLogP3 | 3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 4 |
| Exact Mass | 455.1836508 g/mol |
| Monoisotopic Mass | 455.1836508 g/mol |
| Topological Polar Surface Area | 90.5 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 650 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |