19977-12-9
Product Name:
1-Piperazineethanol, alpha-(1,3-dimethyl-7-xanthinylmethyl)-4-(p-isopr opylbenzyl)-, benzoate (ester)
Formula:
C31H38N6O4
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COMPUTED DESCRIPTORS
| Molecular Weight | 558.7 g/mol |
|---|---|
| XLogP3 | 3.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 10 |
| Exact Mass | 558.29545371 g/mol |
| Monoisotopic Mass | 558.29545371 g/mol |
| Topological Polar Surface Area | 91.2 Ų |
| Heavy Atom Count | 41 |
| Formal Charge | 0 |
| Complexity | 910 |
| 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 |