799776-45-7
Product Name:
6-[2-(3-chloroanilino)-2-oxoethyl]sulfanyl-5-cyano-N-(4-fluorophenyl)-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxamide
Formula:
C26H20ClFN4O3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 523.0 g/mol |
|---|---|
| XLogP3 | 4.5 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 7 |
| Exact Mass | 522.0928675 g/mol |
| Monoisotopic Mass | 522.0928675 g/mol |
| Topological Polar Surface Area | 133 Ų |
| Heavy Atom Count | 36 |
| Formal Charge | 0 |
| Complexity | 956 |
| 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 |