332100-84-2
Product Name:
2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-(4-methoxyphenyl)-6-phenylnicotinonitrile
Formula:
C27H19ClN2O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 471.0 g/mol |
|---|---|
| XLogP3 | 6.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 7 |
| Exact Mass | 470.0855767 g/mol |
| Monoisotopic Mass | 470.0855767 g/mol |
| Topological Polar Surface Area | 88.3 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 675 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |