339010-64-9
Product Name:
3-CHLORO-2-(1-[4-METHYL-5-(METHYLSULFANYL)-4H-1,2,4-TRIAZOL-3-YL]ETHYL)-5-(TRIFLUOROMETHYL)PYRIDINE
Formula:
C12H12ClF3N4S
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COMPUTED DESCRIPTORS
| Molecular Weight | 336.76 g/mol |
|---|---|
| XLogP3 | 3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 3 |
| Exact Mass | 336.0423298 g/mol |
| Monoisotopic Mass | 336.0423298 g/mol |
| Topological Polar Surface Area | 68.9 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 360 |
| 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 |