| CAS Number | 1394011-91-6 |
| Catalog Number | AG01BHHN |
| Chemical Name | UC 2288, trans |
| IUPAC Name | 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[5-(trifluoromethyl)pyridin-2-yl]oxycyclohexyl]urea |
| InChI | InChI=1S/C20H18ClF6N3O2/c21-16-7-4-13(9-15(16)20(25,26)27)30-18(31)29-12-2-5-14(6-3-12)32-17-8-1-11(10-28-17)19(22,23)24/h1,4,7-10,12,14H,2-3,5-6H2,(H2,29,30,31) |
| InChI Key | ISPSOOYSNVVMMB-UHFFFAOYSA-N |
| MDL Number | MFCD28139634 |
| Molecular Formula | C20H18ClF6N3O2 |
| Molecular Weight | 481.8192 |
| SMILES | ClC1=C(C=C(C=C1)NC(=O)N[C@@H]1CC[C@H](CC1)OC1=NC=C(C=C1)C(F)(F)F)C(F)(F)F |
| Synonyms | 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}cyclohexyl)urea,
1394011-91-6,
1394011-66-5,
UC 2288, trans,
CHEMBL3677981,
SCHEMBL15612188,
SCHEMBL15612190,
BDBM158490,
ZINC170616526,
ZINC202070078,
ZINC238853233,
UC 2288,
EN300-195636,
US9029401, 2288,
Z1993522716,
1-(4-chloro-3-(trifluoromethyl)phenyl)-3-(trans-4-((5-(trifluoromethyl)pyridin-2-yl)oxy)cyclohexyl)urea,
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[(1r,4r)-4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}cyclohexyl]urea,
|
| Complexity | 627 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 481.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 32 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 481.823g/mol |
| Monoisotopic Mass | 481.099g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 63.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number