332050-87-0
Product Name:
methyl 6-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-4-(2-chlorophenyl)-5-cyano-2-oxo-1,2,3,4-tetrahydro-3-pyridinecarboxylate
Formula:
C22H17BrClN3O4S
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COMPUTED DESCRIPTORS
| Molecular Weight | 534.8 g/mol |
|---|---|
| XLogP3 | 3.9 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 7 |
| Exact Mass | 532.98117 g/mol |
| Monoisotopic Mass | 532.98117 g/mol |
| Topological Polar Surface Area | 134 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 821 |
| 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 |