1001560-16-2
Product Name:
[4-(1-ETHYL-3-METHYL-1 H-PYRAZOL-4-YL)-6-TRIFLUOROMETHYL-PYRIMIDIN-2-YLSULFANYL]-ACETIC ACID
Formula:
C13H13F3N4O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 346.33 g/mol |
|---|---|
| XLogP3 | 2.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 5 |
| Exact Mass | 346.07113133 g/mol |
| Monoisotopic Mass | 346.07113133 g/mol |
| Topological Polar Surface Area | 106 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 427 |
| 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 |