439096-92-1
Product Name:
1-(4-CHLOROPHENYL)-3-[(3-FLUOROBENZYL)SULFANYL]-5,6,7,8-TETRAHYDRO-4-ISOQUINOLINECARBONITRILE
Formula:
C23H18ClFN2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 408.9 g/mol |
|---|---|
| XLogP3 | 6.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 408.0863256 g/mol |
| Monoisotopic Mass | 408.0863256 g/mol |
| Topological Polar Surface Area | 62 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 558 |
| 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 |