| CAS Number | 284670-98-0 |
| Catalog Number | AG01E40Z(AGN-PC-0R44DI) |
| Chemical Name | N,N'-Bis[4-[2-(N-methylcarbamoyl)-4-pyridyloxy]phenyl]urea |
| IUPAC Name | N-methyl-4-[4-[[4-[2-(methylcarbamoyl)pyridin-4-yl]oxyphenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide |
| InChI | InChI=1S/C27H24N6O5/c1-28-25(34)23-15-21(11-13-30-23)37-19-7-3-17(4-8-19)32-27(36)33-18-5-9-20(10-6-18)38-22-12-14-31-24(16-22)26(35)29-2/h3-16H,1-2H3,(H,28,34)(H,29,35)(H2,32,33,36) |
| InChI Key | RHRMYJDVQDNOJF-UHFFFAOYSA-N |
| MDL Number | MFCD32196678 |
| Molecular Formula | C27H24N6O5 |
| Molecular Weight | 512.5167 |
| SMILES | CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Oc4ccnc(c4)C(=O)NC)cc3)cc2)ccn1 |
| Synonyms | SCHEMBL257980,
SORAFENIB RELATED COMPOUND 15,
284670-98-0,
|
| Complexity | 722 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 512.181g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 38 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 512.526g/mol |
| Monoisotopic Mass | 512.181g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 144A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number