692774-36-0
Product Name:
benzyl 5-cyano-6-((2-ethoxy-2-oxoethyl)thio)-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Formula:
C23H22N2O5S
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COMPUTED DESCRIPTORS
| Molecular Weight | 438.5 g/mol |
|---|---|
| XLogP3 | 3.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 10 |
| Exact Mass | 438.12494298 g/mol |
| Monoisotopic Mass | 438.12494298 g/mol |
| Topological Polar Surface Area | 127 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 791 |
| 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 |