488101-90-2
Product Name:
4-[(E)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione
Formula:
C22H19N5O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 417.5 g/mol |
|---|---|
| XLogP3 | 3.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 7 |
| Exact Mass | 417.12594604 g/mol |
| Monoisotopic Mass | 417.12594604 g/mol |
| Topological Polar Surface Area | 103 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 637 |
| 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 |