929823-96-1
Product Name:
[4-(2-chloro-7H-purin-6-yl)piperazin-1-yl](2,3-dihydro-1,4-benzodioxin-2-yl)methanone
Formula:
C18H17ClN6O3
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COMPUTED DESCRIPTORS
| Molecular Weight | 400.8 g/mol |
|---|---|
| XLogP3 | 2.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 2 |
| Exact Mass | 400.1050661 g/mol |
| Monoisotopic Mass | 400.1050661 g/mol |
| Topological Polar Surface Area | 96.5 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 578 |
| 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 |