369604-87-5
Product Name:
ethyl 6-((4-chlorobenzyl)thio)-5-cyano-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate
Formula:
C21H19ClN2O2S2
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COMPUTED DESCRIPTORS
| Molecular Weight | 431.0 g/mol |
|---|---|
| XLogP3 | 5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 7 |
| Exact Mass | 430.0576479 g/mol |
| Monoisotopic Mass | 430.0576479 g/mol |
| Topological Polar Surface Area | 116 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 704 |
| 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 |