861652-66-6
Product Name:
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-methylphenyl)sulfanylmethyl]-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]triazole-4-carboxamide
Formula:
C19H18N8O2S2
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COMPUTED DESCRIPTORS
| Molecular Weight | 454.5 g/mol |
|---|---|
| XLogP3 | 3.2 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 7 |
| Exact Mass | 454.09941419 g/mol |
| Monoisotopic Mass | 454.09941419 g/mol |
| Topological Polar Surface Area | 191 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 636 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |