| CAS Number | 1426802-50-7 |
| Catalog Number | AG009CK3 |
| Chemical Name | N-[2,6-dichloro-2'-(trifluoromethoxy)-[1,1'-biphenyl]-4-yl]-2-[4-(ethanesulfonyl)phenyl]acetamide |
| IUPAC Name | N-[3,5-dichloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide |
| InChI | InChI=1S/C23H18Cl2F3NO4S/c1-2-34(31,32)16-9-7-14(8-10-16)11-21(30)29-15-12-18(24)22(19(25)13-15)17-5-3-4-6-20(17)33-23(26,27)28/h3-10,12-13H,2,11H2,1H3,(H,29,30) |
| InChI Key | CEICQMBWAQAIQX-UHFFFAOYSA-N |
| MDL Number | MFCD28902182 |
| Molecular Formula | C23H18Cl2F3NO4S |
| Molecular Weight | 532.3595 |
| SMILES | ClC1=C(C(=CC(=C1)NC(CC1=CC=C(C=C1)S(=O)(=O)CC)=O)Cl)C1=C(C=CC=C1)OC(F)(F)F |
| Synonyms | ROR gamma-t-IN-1,
RORgamma-t-IN-1,
1426802-50-7,
GSK805,
CHEMBL3609407,
SCHEMBL14746799,
BDBM50112367,
AKOS030526514,
ZINC143139995,
CS-5079,
HY-12776,
N-[3,5-dichloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide,
Benzeneacetamide, N-[2,6-dichloro-2-(trifluoromethoxy)[1,1-biphenyl]-4-yl]-4-(ethylsulfonyl)-,
|
| Complexity | 772 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 531.029g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 34 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 532.355g/mol |
| Monoisotopic Mass | 531.029g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 80.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 6.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number