896678-49-2
Product Name:
ethyl 2-((3-(4-chlorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)propanoate
Formula:
C16H16ClN5O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 377.8 g/mol |
|---|---|
| XLogP3 | 3.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 7 |
| Exact Mass | 377.0713236 g/mol |
| Monoisotopic Mass | 377.0713236 g/mol |
| Topological Polar Surface Area | 108 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 452 |
| 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 |