331726-28-4
Product Name:
ethyl 2-({7-[3-(4-bromophenoxy)-2-hydroxypropyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)propanoate
Formula:
C20H23BrN4O6S
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COMPUTED DESCRIPTORS
| Molecular Weight | 527.4 g/mol |
|---|---|
| XLogP3 | 2.6 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 10 |
| Exact Mass | 526.05217 g/mol |
| Monoisotopic Mass | 526.05217 g/mol |
| Topological Polar Surface Area | 148 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 695 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |