439107-82-1
Product Name:
2-(METHYLSULFANYL)-7-PHENYL-5-(TRIFLUOROMETHYL)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE
Formula:
C13H9F3N4S
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 310.30 g/mol |
|---|---|
| XLogP3 | 3.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 2 |
| Exact Mass | 310.05000196 g/mol |
| Monoisotopic Mass | 310.05000196 g/mol |
| Topological Polar Surface Area | 68.4 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 362 |
| 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 |