| CAS Number | 1276617-62-9 |
| Catalog Number | AG01E683(AGN-PC-0WP22I) |
| Chemical Name | VU 0409106 |
| IUPAC Name | 3-fluoro-N-(4-methyl-1,3-thiazol-2-yl)-5-pyrimidin-5-yloxybenzamide |
| InChI | InChI=1S/C15H11FN4O2S/c1-9-7-23-15(19-9)20-14(21)10-2-11(16)4-12(3-10)22-13-5-17-8-18-6-13/h2-8H,1H3,(H,19,20,21) |
| InChI Key | AXVLPJHYYFHCHK-UHFFFAOYSA-N |
| MDL Number | MFCD29081178 |
| Molecular Formula | C15H11FN4O2S |
| Molecular Weight | 330.3368 |
| SMILES | O=C(NC1=NC(C)=CS1)C2=CC(OC3=CN=CN=C3)=CC(F)=C2 |
| Synonyms | VU0409106,
1276617-62-9,
CHEMBL2440659,
VU 0409106,
AXVLPJHYYFHCHK-UHFFFAOYSA-N,
SCHEMBL1487938,
BDBM50442525,
ZINC68251494,
AKOS027470171,
US8796295, Table 2: Compound: 1,
VU0409106,
3-Fluoro-N-(4-methyl-2-thiazolyl)-5-(5-pyrimidinyloxy)benzamide,
3-fluoro-N-(4-methylthiazol-2-yl)-5-(pyrimidin-5-yloxy)benzamide,
|
| Complexity | 411 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 330.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 330.337g/mol |
| Monoisotopic Mass | 330.059g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 105A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number