326918-99-4
Product Name:
ethyl 2-{[7-(3-bromobenzyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}propanoate
Formula:
C18H19BrN4O4S
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COMPUTED DESCRIPTORS
| Molecular Weight | 467.3 g/mol |
|---|---|
| XLogP3 | 3.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 7 |
| Exact Mass | 466.03104 g/mol |
| Monoisotopic Mass | 466.03104 g/mol |
| Topological Polar Surface Area | 119 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 624 |
| 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 |