| CAS Number | 897613-29-5 |
| Catalog Number | AG01EPMA(AGN-PC-3H470B) |
| Chemical Name | N1-(3-acetamidophenyl)-N2-(2-(4-methyl-2-(p-tolyl)thiazol-5-yl)ethyl)oxalamide |
| IUPAC Name | N'-(3-acetamidophenyl)-N-[2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]oxamide |
| InChI | InChI=1S/C23H24N4O3S/c1-14-7-9-17(10-8-14)23-25-15(2)20(31-23)11-12-24-21(29)22(30)27-19-6-4-5-18(13-19)26-16(3)28/h4-10,13H,11-12H2,1-3H3,(H,24,29)(H,26,28)(H,27,30) |
| InChI Key | BFNBJUBXXJKBFN-UHFFFAOYSA-N |
| MDL Number | MFCD07644661 |
| Molecular Formula | C23H24N4O3S |
| Molecular Weight | 436.5267 |
| SMILES | CC(NC1=CC=CC(NC(C(NCCC2=C(C)N=C(C3=CC=C(C)C=C3)S2)=O)=O)=C1)=O |
| Synonyms | 897613-29-5,
N1-(3-acetamidophenyl)-N2-(2-(4-methyl-2-(p-tolyl)thiazol-5-yl)ethyl)oxalamide,
ZINC9578795,
AKOS024620761,
MCULE-6941555728,
S1QEL1.1, >=98% (HPLC),
F2011-1277,
BFNBJUBXXJKBFN-UHFFFAOYSA-N,
|
| Complexity | 638 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 436.157g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 31 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 436.53g/mol |
| Monoisotopic Mass | 436.157g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 128A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number