383892-70-4
Product Name:
allyl 5-cyano-2-methyl-6-((2-oxo-2-phenylethyl)thio)-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate
Formula:
C23H20N2O3S2
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COMPUTED DESCRIPTORS
| Molecular Weight | 436.6 g/mol |
|---|---|
| XLogP3 | 4.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 9 |
| Exact Mass | 436.09153485 g/mol |
| Monoisotopic Mass | 436.09153485 g/mol |
| Topological Polar Surface Area | 133 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 803 |
| 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 |