477853-23-9
Product Name:
3-[5-(ALLYLSULFANYL)-4-ETHYL-4H-1,2,4-TRIAZOL-3-YL]-1-(2,4-DICHLOROBENZYL)-2(1H)-PYRIDINONE
Formula:
C19H18Cl2N4OS
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COMPUTED DESCRIPTORS
| Molecular Weight | 421.3 g/mol |
|---|---|
| XLogP3 | 4.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 7 |
| Exact Mass | 420.0578378 g/mol |
| Monoisotopic Mass | 420.0578378 g/mol |
| Topological Polar Surface Area | 76.3 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 615 |
| 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 |