864926-94-3
Product Name:
ethyl 2-(2-bromobenzamido)-3-cyano-4,7-dihydrothieno[2,3-c]pyridine-6(5H)-carboxylate
Formula:
C18H16BrN3O3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 434.3 g/mol |
|---|---|
| XLogP3 | 3.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 433.00958 g/mol |
| Monoisotopic Mass | 433.00958 g/mol |
| Topological Polar Surface Area | 111 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 596 |
| 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 |