896076-31-6
Product Name:
2-[[4-(4-chlorophenyl)-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
Formula:
C25H20ClF3N4O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 533.0 g/mol |
|---|---|
| XLogP3 | 6.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 8 |
| Exact Mass | 532.0947592 g/mol |
| Monoisotopic Mass | 532.0947592 g/mol |
| Topological Polar Surface Area | 94.3 Ų |
| Heavy Atom Count | 36 |
| Formal Charge | 0 |
| Complexity | 705 |
| 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 |