| CAS Number | 1962928-26-2 |
| Catalog Number | AG01E3L7 |
| Chemical Name | BGC20-1531Hydrochloride |
| IUPAC Name | 4-[[4-(5-methoxypyridin-2-yl)phenoxy]methyl]-5-methyl-N-(2-methylphenyl)sulfonylfuran-2-carboxamide;hydrochloride |
| InChI | InChI=1S/C26H24N2O6S.ClH/c1-17-6-4-5-7-25(17)35(30,31)28-26(29)24-14-20(18(2)34-24)16-33-21-10-8-19(9-11-21)23-13-12-22(32-3)15-27-23;/h4-15H,16H2,1-3H3,(H,28,29);1H |
| InChI Key | ZSHYZCXOFPPBMH-UHFFFAOYSA-N |
| MDL Number | MFCD30182277 |
| Molecular Formula | C26H25ClN2O6S |
| Molecular Weight | 529.0045 |
| SMILES | COC1=CN=C(C2=CC=C(OCC3=C(C)OC(C(NS(C4=CC=CC=C4C)(=O)=O)=O)=C3)C=C2)C=C1.Cl |
| Synonyms | 1962928-26-2,
BGC20-1531Hydrochloride,
BGC 20-1531 hydrochloride,
PGN 1531,
AKOS027470172,
4-[[4-(5-Methoxy-2-pyridinyl)phenoxy]methyl]-5-methyl-N-[(2-methylphenyl)sulfonyl]-2-furancarboxamide hydrochloride,
|
| Complexity | 794 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 528.112g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 36 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 529.004g/mol |
| Monoisotopic Mass | 528.112g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 116A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number