313380-24-4
Product Name:
ethyl 6-amino-5-cyano-2-(((5-cyano-[2,4'-bipyridin]-6-yl)thio)methyl)-4-(4-methoxyphenyl)-4H-pyran-3-carboxylate
Formula:
C28H23N5O4S
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COMPUTED DESCRIPTORS
| Molecular Weight | 525.6 g/mol |
|---|---|
| XLogP3 | 3.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 9 |
| Exact Mass | 525.14707541 g/mol |
| Monoisotopic Mass | 525.14707541 g/mol |
| Topological Polar Surface Area | 169 Ų |
| Heavy Atom Count | 38 |
| Formal Charge | 0 |
| Complexity | 1010 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |