| CAS Number | 929095-22-7 |
| Catalog Number | AG01EQEX(AGN-PC-0WOKH7) |
| Chemical Name | GSK461364analogueII |
| IUPAC Name | 5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide |
| InChI | InChI=1S/C27H27F3N4O3S/c1-16(19-5-3-4-6-20(19)27(28,29)30)36-23-14-24(38-25(23)26(31)35)34-15-32-21-8-7-18(13-22(21)34)37-17-9-11-33(2)12-10-17/h3-8,13-17H,9-12H2,1-2H3,(H2,31,35)/t16-/m1/s1 |
| InChI Key | SWIVJTVGOIXUKC-MRXNPFEDSA-N |
| MDL Number | MFCD18089837 |
| Molecular Formula | C27H27F3N4O3S |
| Molecular Weight | 544.5885 |
| SMILES | CC(C1=CC=CC=C1C(F)(F)F)OC2=C(SC(=C2)N3C=NC4=C3C=C(C=C4)OC5CCN(CC5)C)C(=O)N |
| Synonyms | GSK 461364 analogue II,
SCHEMBL2977519,
CHEMBL1615278,
BDBM28216,
SWIVJTVGOIXUKC-MRXNPFEDSA-N,
ZINC59716256,
benzimidazole thiophene carboxamide, 24,
NCGC00386595-01,
929095-22-7,
(R)-5-(6-(1-methylpiperidin-4-yloxy)-1H-benzo[d]imidazol-1-yl)-3-(1-(2-(trifluoromethyl)phenyl)ethoxy)thiophene-2-carboxamide,
5-{6-[(1-Methyl-4-piperidinyl)oxy]-1H-benzimidazol-1-yl}-3-({(1R)-1-[2-(trifluoromethyl)phenyl]ethyl}oxy)-2-thiophenecarboxamide,
5-{6-[(1-methylpiperidin-4-yl)oxy]-1H-1,3-benzodiazol-1-yl}-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide,
5-{6-[(1-Methyl-4-piperidinyl)oxy]-1H-benzimidazol-1-yl}-3-{,
5-{6-[(1-Methylpiperidin-4-Yl)oxy]-1h-Benzimidazol-1-Yl}-3-{(1r)-1-[2-(Trifluoromethyl)phenyl]ethoxy}thiophene-2-Carboxamide,
|
| Complexity | 815 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 544.176g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 38 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 544.593g/mol |
| Monoisotopic Mass | 544.176g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 111A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number