AC1MGTUE
5-cyano-4-(furan-2-yl)-2-methyl-6-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]sulfanyl-N-phenyl-1,4-dihydropyridine-3-carboxamide
Also Known As: 5-cyano-4-(furan-2-yl)-2-methyl-6-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]sulfanyl-N-phenyl-1,4-dihydropyridine-3-carboxamide|5-cyano-4-(furan-2-yl)-2-methyl-6-((2-oxo-2-((3-(trifluoromethyl)phenyl)amino)ethyl)thio)-N-phenyl-1,4-dihydropyridine-3-carboxamide|5-cyano-4-(furan-2-yl)-2-methyl-6-[(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-N-phenyl-1,4-dihydropyridine-3-carboxamide
| Molecular Formula | C27H21F3N4O3S |
|---|---|
| Molecular Weight | 538.12866 g/mol |
| LogP | 6.00498 |
| Topological Polar Surface Area | 107.16 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 538.12866 |
| Monoisotopic Mass | 538.12866 |
| Heavy Atoms | 38 |
| Complexity | 1442.1959 |
Chemical Identifiers
| CAS Number | 693232-69-8 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)SCC(=O)NC2=CC=CC(=C2)C(F)(F)F)C#N)C3=CC=CO3)C(=O)NC4=CC=CC=C4 |
Product Overview
AC1MGTUE (CAS 693232-69-8), with molecular formula C27H21F3N4O3S and molecular weight 538.12866 g/mol. IUPAC: 5-cyano-4-(furan-2-yl)-2-methyl-6-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]sulfanyl-N-phenyl-1,4-dihydropyridine-3-carboxamide.