100565-89-7
Product Name:
Acetic acid, [[2-methyl-3-(9-octadecenyloxy)-2H-pyrazolo[4,3-d]pyrimidin-7-yl]thio]-, ethyl ester (9CI)
Formula:
C28H46N4O3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 518.8 g/mol |
|---|---|
| XLogP3 | 9.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 22 |
| Exact Mass | 518.32906252 g/mol |
| Monoisotopic Mass | 518.32906252 g/mol |
| Topological Polar Surface Area | 104 Ų |
| Heavy Atom Count | 36 |
| Formal Charge | 0 |
| Complexity | 595 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |