1212117-99-1
Product Name:
DIMETHYL 5,5-DICYANO-2-HYDROXY-6-[4-(METHYLSULFANYL)PHENYL]-4-(4-PYRIDINYL)-1-CYCLOHEXENE-1,3-DICARBOXYLATE
Formula:
C24H21N3O5S
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COMPUTED DESCRIPTORS
| Molecular Weight | 463.5 g/mol |
|---|---|
| XLogP3 | 2.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 7 |
| Exact Mass | 463.12019195 g/mol |
| Monoisotopic Mass | 463.12019195 g/mol |
| Topological Polar Surface Area | 159 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 870 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |