501352-27-8
Product Name:
7-(2-(benzo[d]thiazol-2-ylthio)ethyl)-3-methyl-8-(pyrrolidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Formula:
C19H20N6O2S2
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COMPUTED DESCRIPTORS
| Molecular Weight | 428.5 g/mol |
|---|---|
| XLogP3 | 3.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Exact Mass | 428.10891625 g/mol |
| Monoisotopic Mass | 428.10891625 g/mol |
| Topological Polar Surface Area | 137 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 648 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |