876900-84-4
Product Name:
9-(3-chlorophenyl)-3-(2-methoxyethyl)-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
Formula:
C19H22ClN5O3
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COMPUTED DESCRIPTORS
| Molecular Weight | 403.9 g/mol |
|---|---|
| XLogP3 | 2.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 403.1411173 g/mol |
| Monoisotopic Mass | 403.1411173 g/mol |
| Topological Polar Surface Area | 70.9 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 622 |
| 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 |