852047-89-3
Product Name:
6-((5-((4-nitrobenzyl)thio)-4-(m-tolyl)-4H-1,2,4-triazol-3-yl)methyl)pyrimidine-2,4(1H,3H)-dione
Formula:
C21H18N6O4S
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COMPUTED DESCRIPTORS
| Molecular Weight | 450.5 g/mol |
|---|---|
| XLogP3 | 2.7 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 6 |
| Exact Mass | 450.11102425 g/mol |
| Monoisotopic Mass | 450.11102425 g/mol |
| Topological Polar Surface Area | 160 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 751 |
| 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 |