| CAS Number | 1290628-31-7 |
| Catalog Number | AG00A1FF |
| Chemical Name | AZ 12216052 |
| IUPAC Name | 2-[(4-bromophenyl)methylsulfanyl]-N-(4-butan-2-ylphenyl)acetamide |
| InChI | InChI=1S/C19H22BrNOS/c1-3-14(2)16-6-10-18(11-7-16)21-19(22)13-23-12-15-4-8-17(20)9-5-15/h4-11,14H,3,12-13H2,1-2H3,(H,21,22) |
| InChI Key | QKUYZJOTWYRWNF-UHFFFAOYSA-N |
| MDL Number | MFCD20926426 |
| Molecular Formula | C19H22BrNOS |
| Molecular Weight | 392.3531 |
| SMILES | BrC1=CC=C(CSCC(=O)NC2=CC=C(C=C2)C(C)CC)C=C1 |
| Synonyms | AZ 12216052,
AZ-12216052,
AZ12216052,
AZ 12216052,
1290628-31-7,
AZ12216052,
AZ-12216052,
GTPL6216,
AKOS025142025,
AZ12216052, >=98% (HPLC),
2-(4-bromobenzylthio)-N-(4-s-butylphenyl)acetamide,
2-(4-bromobenzylthio)-N-(4-sec-butylphenyl)acetamide,
2-[[(4-Bromophenyl)methyl]thio]-N-[4-(1-methylpropyl)phenyl]acetamide,
2-{[(4-bromophenyl)methyl]sulfanyl}-N-[4-(butan-2-yl)phenyl]acetamide,
D0H8XQ,
QKUYZJOTWYRWNF-UHFFFAOYSA-N,
2-[(4-Bromobenzyl)sulfanyl]-N-(4-sec-butylphenyl)acetamide,
|
| Complexity | 349 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 391.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 392.355g/mol |
| Monoisotopic Mass | 391.061g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 54.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number