19976-95-5
Product Name:
1-Piperazineethanol, alpha-(1,3-dimethyl-7-xanthinylmethyl)-4-(p-isopr opylbenzyl)-
Formula:
C24H34N6O3
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COMPUTED DESCRIPTORS
| Molecular Weight | 454.6 g/mol |
|---|---|
| XLogP3 | 1.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 7 |
| Exact Mass | 454.26923897 g/mol |
| Monoisotopic Mass | 454.26923897 g/mol |
| Topological Polar Surface Area | 85.2 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 690 |
| 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 |