929861-52-9
Product Name:
3-[(2-chloro-7H-purin-6-yl)sulfanyl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
Formula:
C19H21ClN6O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 432.9 g/mol |
|---|---|
| XLogP3 | 2.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 6 |
| Exact Mass | 432.1135228 g/mol |
| Monoisotopic Mass | 432.1135228 g/mol |
| Topological Polar Surface Area | 113 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 553 |
| 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 |