339026-48-1
Product Name:
3-CHLORO-2-((4-METHYL-5-[1-METHYL-1-(1H-1,2,4-TRIAZOL-1-YL)ETHYL]-4H-1,2,4-TRIAZOL-3-YL)SULFANYL)-5-(TRIFLUOROMETHYL)PYRIDINE
Formula:
C14H13ClF3N7S
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COMPUTED DESCRIPTORS
| Molecular Weight | 403.8 g/mol |
|---|---|
| XLogP3 | 2.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 4 |
| Exact Mass | 403.0593768 g/mol |
| Monoisotopic Mass | 403.0593768 g/mol |
| Topological Polar Surface Area | 99.6 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 498 |
| 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 |