316360-64-2
Product Name:
2-oxo-4-(4-propan-2-ylphenyl)-6-prop-2-enylsulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile
Formula:
C18H20N2OS
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COMPUTED DESCRIPTORS
| Molecular Weight | 312.4 g/mol |
|---|---|
| XLogP3 | 3.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 312.12963444 g/mol |
| Monoisotopic Mass | 312.12963444 g/mol |
| Topological Polar Surface Area | 78.2 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 506 |
| 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 |