| CAS Number | 1285533-84-7 |
| Catalog Number | AG01D8SO(AGN-PC-0WNO5K) |
| Chemical Name | N-Methyl-4-(4-(3-(3-(trifluoromethyl)phenyl)ureido)phenoxy)picolinamide |
| IUPAC Name | N-methyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide |
| InChI | InChI=1S/C21H17F3N4O3/c1-25-19(29)18-12-17(9-10-26-18)31-16-7-5-14(6-8-16)27-20(30)28-15-4-2-3-13(11-15)21(22,23)24/h2-12H,1H3,(H,25,29)(H2,27,28,30) |
| InChI Key | WFTZMAAMCVPJJT-UHFFFAOYSA-N |
| MDL Number | MFCD29041974 |
| Molecular Formula | C21H17F3N4O3 |
| Molecular Weight | 430.3799 |
| SMILES | O=C(NC)C1=NC=CC(OC2=CC=C(NC(NC3=CC=CC(C(F)(F)F)=C3)=O)C=C2)=C1 |
| Synonyms | N-methyl-4-(4-(3-(3-(trifluoromethyl)phenyl)ureido)phenoxy)picolinamide,
1285533-84-7,
Kinome_1852,
Sorafenib related compound 3,
CHEMBL1992306,
SCHEMBL16628085,
ZINC63298382,
AKOS027423919,
CS-W004413,
WFTZMAAMCVPJJT-UHFFFAOYSA-N,
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| Complexity | 611 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 430.125g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 31 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 430.387g/mol |
| Monoisotopic Mass | 430.125g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 92.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number