852913-25-8
Product Name:
N-[3,5-bis(trifluoroMethyl)phenyl]-N'-[(9R)-6'-Methoxycinchonan-9-yl]- Thiourea
Formula:
C29H28F6N4OS
Synonyms:
epi-N-Quinidyl-N′-bis(3,5-trifluoromethyl)phenylthiourea;1-[3,5-Bis(trifluoromethyl)phenyl)-3-{(R)(6-methoxy-4-quinolinyl)-[(2R,4S,5R)-5-vinyl-1-aza-bicyclo[2.2.2]oct-2-yl]methyl}thiourea
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SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Skull and Crossbones Acute Toxicity GHS06 |
| GHS Hazard Statements |
H301:Acute toxicity,oral |
| Precautionary Statement Codes |
P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. |
COMPUTED DESCRIPTORS
| Molecular Weight | 594.6 g/mol |
|---|---|
| XLogP3 | 6.6 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 6 |
| Exact Mass | 594.18880168 g/mol |
| Monoisotopic Mass | 594.18880168 g/mol |
| Topological Polar Surface Area | 81.5 Ų |
| Heavy Atom Count | 41 |
| Formal Charge | 0 |
| Complexity | 912 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 4 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |