| CAS Number | 1371638-10-6 |
| Catalog Number | AG009FAD(AGN-PC-0WOZQX) |
| Chemical Name | N-(2-((2-(4-(2-(2-Hydroxyethoxy)ethyl)piperazine-1-carbonyl)phenyl)thio)phenyl)acetamide |
| IUPAC Name | N-[2-[2-[4-[2-(2-hydroxyethoxy)ethyl]piperazine-1-carbonyl]phenyl]sulfanylphenyl]acetamide |
| InChI | InChI=1S/C23H29N3O4S/c1-18(28)24-20-7-3-5-9-22(20)31-21-8-4-2-6-19(21)23(29)26-12-10-25(11-13-26)14-16-30-17-15-27/h2-9,27H,10-17H2,1H3,(H,24,28) |
| InChI Key | LJMAGQBUYLSXRO-UHFFFAOYSA-N |
| MDL Number | MFCD30186879 |
| Molecular Formula | C23H29N3O4S |
| Molecular Weight | 443.5591 |
| SMILES | CC(=O)Nc1ccccc1Sc2ccccc2C(=O)N3CCN(CCOCCO)CC3 |
| Synonyms | 1371638-10-6,
N-(2-((2-(4-(2-(2-Hydroxyethoxy)ethyl)piperazine-1-carbonyl)phenyl)thio)phenyl)acetamide,
Quetiapine EP Impurity K,
LJMAGQBUYLSXRO-UHFFFAOYSA-N,
|
| Complexity | 571 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 443.188g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 31 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 443.562g/mol |
| Monoisotopic Mass | 443.188g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 107A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number