477856-20-5
Product Name:
ETHYL 2-(2-AMINO[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL)-3-(2-CHLORO-6-FLUOROPHENYL)PROPANOATE
Formula:
C16H15ClFN5O2
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Solubility | 26.1 [ug/mL] (The mean of the results at pH 7.4) |
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COMPUTED DESCRIPTORS
| Molecular Weight | 363.77 g/mol |
|---|---|
| XLogP3 | 2.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 6 |
| Exact Mass | 363.0898306 g/mol |
| Monoisotopic Mass | 363.0898306 g/mol |
| Topological Polar Surface Area | 95.4 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 474 |
| 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 |