712296-42-9
Product Name:
2-[(2-chlorophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
Formula:
C24H21ClN2O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 437.0 g/mol |
|---|---|
| XLogP3 | 4.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 436.1012268 g/mol |
| Monoisotopic Mass | 436.1012268 g/mol |
| Topological Polar Surface Area | 87.4 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 775 |
| 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 |