955976-67-7
Product Name:
4-ETHYL-3-[(4-METHYLBENZYL)SULFINYL]-5-([3-(TRIFLUOROMETHYL)PHENOXY]METHYL)-4H-1,2,4-TRIAZOLE
Formula:
C20H20F3N3O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 423.5 g/mol |
|---|---|
| XLogP3 | 3.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 7 |
| Exact Mass | 423.12283255 g/mol |
| Monoisotopic Mass | 423.12283255 g/mol |
| Topological Polar Surface Area | 76.2 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 544 |
| 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 |