714932-75-9
Product Name:
7-[3-(1,3-benzoxazol-2-ylsulfanyl)propyl]-8-[4-(4-methoxyphenyl)piperazin-1-yl]-3-methylpurine-2,6-dione
Formula:
C27H29N7O4S
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COMPUTED DESCRIPTORS
| Molecular Weight | 547.6 g/mol |
|---|---|
| XLogP3 | 4.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 8 |
| Exact Mass | 547.20017361 g/mol |
| Monoisotopic Mass | 547.20017361 g/mol |
| Topological Polar Surface Area | 134 Ų |
| Heavy Atom Count | 39 |
| Formal Charge | 0 |
| Complexity | 869 |
| 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 |