861638-81-5
Product Name:
4-(4-ethoxyphenyl)-3-[(4-nitrophenyl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazole
Formula:
C21H18N4O3S2
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COMPUTED DESCRIPTORS
| Molecular Weight | 438.5 g/mol |
|---|---|
| XLogP3 | 5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 7 |
| Exact Mass | 438.08203280 g/mol |
| Monoisotopic Mass | 438.08203280 g/mol |
| Topological Polar Surface Area | 139 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 551 |
| 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 |