303150-39-2
Product Name:
Ethyl 7-amino-2-([3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl)[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Formula:
C14H10ClF3N6O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 418.8 g/mol |
|---|---|
| XLogP3 | 3.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 5 |
| Exact Mass | 418.0226569 g/mol |
| Monoisotopic Mass | 418.0226569 g/mol |
| Topological Polar Surface Area | 134 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 548 |
| 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 |