439112-28-4
Product Name:
5,7-DIMETHYL-2-(METHYLSULFANYL)-6-[3-(TRIFLUOROMETHYL)BENZYL][1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE
Formula:
C16H15F3N4S
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COMPUTED DESCRIPTORS
| Molecular Weight | 352.4 g/mol |
|---|---|
| XLogP3 | 4.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 3 |
| Exact Mass | 352.09695216 g/mol |
| Monoisotopic Mass | 352.09695216 g/mol |
| Topological Polar Surface Area | 68.4 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 436 |
| 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 |