879468-37-8
Product Name:
4-(4-methylphenyl)-3-[(4-nitrophenyl)methylsulfanyl]-5-(thiophen-2-ylmethyl)-1,2,4-triazole
Formula:
C21H18N4O2S2
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COMPUTED DESCRIPTORS
| Molecular Weight | 422.5 g/mol |
|---|---|
| XLogP3 | 5.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Exact Mass | 422.08711818 g/mol |
| Monoisotopic Mass | 422.08711818 g/mol |
| Topological Polar Surface Area | 130 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 533 |
| 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 |