477853-21-7
Product Name:
1-(2,4-DICHLOROBENZYL)-3-(5-[(3,4-DICHLOROBENZYL)SULFANYL]-4-METHYL-4H-1,2,4-TRIAZOL-3-YL)-2(1H)-PYRIDINONE
Formula:
C22H16Cl4N4OS
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COMPUTED DESCRIPTORS
| Molecular Weight | 526.3 g/mol |
|---|---|
| XLogP3 | 5.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 525.976943 g/mol |
| Monoisotopic Mass | 523.979893 g/mol |
| Topological Polar Surface Area | 76.3 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 741 |
| 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 |