956742-12-4
Product Name:
3-[(4-CHLOROBENZYL)SULFANYL]-4-ETHYL-5-[1-PHENYL-5-(TRIFLUOROMETHYL)-1H-PYRAZOL-4-YL]-4H-1,2,4-TRIAZOLE
Formula:
C21H17ClF3N5S
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COMPUTED DESCRIPTORS
| Molecular Weight | 463.9 g/mol |
|---|---|
| XLogP3 | 5.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 6 |
| Exact Mass | 463.0845289 g/mol |
| Monoisotopic Mass | 463.0845289 g/mol |
| Topological Polar Surface Area | 73.8 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 572 |
| 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 |