| CAS Number | 568543-94-2 |
| Catalog Number | AG019HP7 |
| Chemical Name | 2-chloro-N-[4-(4-hexylphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide |
| IUPAC Name | 2-chloro-N-[4-(4-hexylphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide |
| InChI | InChI=1S/C23H25ClN2OS/c1-2-3-4-6-9-17-12-14-18(15-13-17)20-16-28-23(25-20)26-22(27)21(24)19-10-7-5-8-11-19/h5,7-8,10-16,21H,2-4,6,9H2,1H3,(H,25,26,27) |
| InChI Key | BLTHWYCSCHELLA-UHFFFAOYSA-N |
| MDL Number | MFCD03965238 |
| Molecular Formula | C23H25ClN2OS |
| Molecular Weight | 412.9754 |
| SMILES | CCCCCCC1=CC=C(C2N=C(NC(C(C3=CC=CC=C3)Cl)=O)SC=2)C=C1 |
| Synonyms | 2-chloro-N-[4-(4-hexylphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide,
568543-94-2,
2-Chloro-N-[4-(4-hexyl-phenyl)-thiazol-2-yl]-2-phenyl-acetamide,
AC1MMVIV,
AC1Q2VUM,
CTK6D7644,
AKOS001064858,
MCULE-5169453868,
NE12671,
EN300-04268,
ZINC03269627,
CID3292314,
|
| Complexity | 464 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 412.138g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 412.976g/mol |
| Monoisotopic Mass | 412.138g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 70.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 7.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number