861209-23-6
Product Name:
METHYL 2-([4-CYANO-1-(4-METHYLPHENYL)-5,6,7,8-TETRAHYDRO-3-ISOQUINOLINYL]SULFANYL)ACETATE
Formula:
C20H20N2O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 352.5 g/mol |
|---|---|
| XLogP3 | 4.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 352.12454906 g/mol |
| Monoisotopic Mass | 352.12454906 g/mol |
| Topological Polar Surface Area | 88.3 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 509 |
| 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 |