| CAS Number | 792954-17-7 |
| Catalog Number | AG019NMM |
| Chemical Name | 2-Chloro-N-[3-[4-(1,1-dimethylethyl)benzoyl]-4,5,6,7-tetrahydro-6-methylbenzo[b]thien-2-yl]acetamide |
| IUPAC Name | N-[3-(4-tert-butylbenzoyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-chloroacetamide |
| InChI | InChI=1S/C22H26ClNO2S/c1-13-5-10-16-17(11-13)27-21(24-18(25)12-23)19(16)20(26)14-6-8-15(9-7-14)22(2,3)4/h6-9,13H,5,10-12H2,1-4H3,(H,24,25) |
| InChI Key | HVLZPJWVPMKJQE-UHFFFAOYSA-N |
| MDL Number | MFCD06362473 |
| Molecular Formula | C22H26ClNO2S |
| Molecular Weight | 403.9653 |
| SMILES | ClCC(=O)Nc1sc2c(c1C(=O)c1ccc(cc1)C(C)(C)C)CCC(C2)C |
| Synonyms | N-[3-(4-tert-butylbenzoyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-chloroacetamide,
792954-17-7,
N-[3-(4-tert-Butyl-benzoyl)-6-methyl-4,5,6,7-tetrahydro-benzo[b]thiophen-2-yl]-2-chloro-acetamide,
AC1NJ8QP,
AC1Q2QUY,
CTK6H5778,
AKOS005199033,
MCULE-8532420645,
NE26764,
UPCMLD0ENAT5298828:001,
EN300-11224,
ZINC03426841,
CID4868406,
|
| Complexity | 553 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 403.137g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 403.965g/mol |
| Monoisotopic Mass | 403.137g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 74.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number