1023558-61-3
Product Name:
4-(4-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYLTHIO))PHENYL)-3-BENZYL-1,2,4-TRIAZOLINE-5-THIONE
Formula:
C21H14ClF3N4S2
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COMPUTED DESCRIPTORS
| Molecular Weight | 478.9 g/mol |
|---|---|
| XLogP3 | 6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Exact Mass | 478.0300510 g/mol |
| Monoisotopic Mass | 478.0300510 g/mol |
| Topological Polar Surface Area | 97.9 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 664 |
| 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 |