477853-06-8
Product Name:
3-[4-ALLYL-5-(METHYLSULFANYL)-4H-1,2,4-TRIAZOL-3-YL]-1-(2,4-DICHLOROBENZYL)-2(1H)-PYRIDINONE
Formula:
C18H16Cl2N4OS
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COMPUTED DESCRIPTORS
| Molecular Weight | 407.3 g/mol |
|---|---|
| XLogP3 | 3.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 406.0421877 g/mol |
| Monoisotopic Mass | 406.0421877 g/mol |
| Topological Polar Surface Area | 76.3 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 600 |
| 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 |