420831-82-9
Product Name:
ethyl 6-butylsulfanyl-5-cyano-4-(2-ethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate
Formula:
C21H26N2O4S
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COMPUTED DESCRIPTORS
| Molecular Weight | 402.5 g/mol |
|---|---|
| XLogP3 | 3.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 10 |
| Exact Mass | 402.16132849 g/mol |
| Monoisotopic Mass | 402.16132849 g/mol |
| Topological Polar Surface Area | 114 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 640 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |