| CAS Number | 871673-31-3 |
| Catalog Number | AG00GUH6 |
| Chemical Name | 2-Chloro-N-(4-(difluoromethoxy)phenyl)propanamide |
| IUPAC Name | 2-[4-(2-amino-2-sulfanylideneethyl)piperazin-1-yl]-N-tert-butylacetamide |
| InChI | InChI=1S/C12H24N4OS/c1-12(2,3)14-11(17)9-16-6-4-15(5-7-16)8-10(13)18/h4-9H2,1-3H3,(H2,13,18)(H,14,17) |
| InChI Key | GPFXGISLMAMSAE-UHFFFAOYSA-N |
| MDL Number | MFCD07355845 |
| Molecular Formula | C10H10ClF2NO2 |
| Molecular Weight | 249.6417 |
| SMILES | CC(Cl)C(NC1=CC=C(OC(F)F)C=C1)=O |
| Synonyms | 871673-31-3,
2-[4-(2-amino-2-thioxoethyl)piperazin-1-yl]-N-(tert-butyl)acetamide,
N-tert-butyl-2-[4-(carbamothioylmethyl)piperazin-1-yl]acetamide,
2-(4-(2-Amino-2-thioxoethyl)piperazin-1-yl)-N-(tert-butyl)acetamide,
AC1Q1MME,
AC1OFL80,
CTK7G4028,
HMS1758N15,
ZINC20268434,
AKOS009039261,
MCULE-3380165744,
NE32616,
EN300-15060,
J-507650,
Z118257798,
2-[4-(2-amino-2-sulfanylideneethyl)piperazin-1-yl]-N-tert-butylacetamide,
CID7131336,
2-chloro-N-[4-(difluoromethoxy)phenyl]propanamide,
2-[4-(carbamothioylmethyl)piperazin-1-yl]-N-tert-butyl-acetamide,
|
| Complexity | 306 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 272.167g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 272.411g/mol |
| Monoisotopic Mass | 272.167g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 93.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number