321553-26-8
Product Name:
1H-Pyrazole-4-carboxamide, 1-methyl-5-[(4-methylphenyl)thio]-3-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]-
Formula:
C20H15F6N3OS
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COMPUTED DESCRIPTORS
| Molecular Weight | 459.4 g/mol |
|---|---|
| XLogP3 | 5.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 4 |
| Exact Mass | 459.08400226 g/mol |
| Monoisotopic Mass | 459.08400226 g/mol |
| Topological Polar Surface Area | 72.2 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 623 |
| 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 |