877801-45-1
Product Name:
ethyl 2-[1,7-dimethyl-2,4-dioxo-9-(2-phenylethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetate
Formula:
C22H27N5O4
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COMPUTED DESCRIPTORS
| Molecular Weight | 425.5 g/mol |
|---|---|
| XLogP3 | 2.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 7 |
| Exact Mass | 425.20630436 g/mol |
| Monoisotopic Mass | 425.20630436 g/mol |
| Topological Polar Surface Area | 88 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 697 |
| 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 |