852913-16-7
Product Name:
Epi-N-Quinyl-N’-bis(3,5-trifluoromethyl)
phenylthiourea
Formula:
C29H28F6N4OS
Synonyms:
epi-N-Quinyl-N′-bis(3,5-trifluoromethyl)phenylthiourea;1-[3,5-Bis(trifluoromethyl)phenyl)-3-{(S)(6-methoxy-4-quinolinyl)-[(2S,4S,5R)-5-vinyl-1-aza-bicyclo[2.2.2]oct-2-yl]methyl}thiourea
Inquiry
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 |