AC1MUSJU
benzyl 5-cyano-6-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Also Known As: benzyl 5-cyano-6-((2-((4-fluorophenyl)amino)-2-oxoethyl)thio)-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate|benzyl 5-cyano-6-({2-[(4-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate|benzyl 5-cyano-6-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate
| Molecular Formula | C27H22FN3O4S |
|---|---|
| Molecular Weight | 503.1315 g/mol |
| LogP | 5.22998 |
| Topological Polar Surface Area | 104.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 503.1315 |
| Monoisotopic Mass | 503.1315 |
| Heavy Atoms | 36 |
| Complexity | 1343.9154 |
Chemical Identifiers
| CAS Number | 796881-75-9 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)SCC(=O)NC2=CC=C(C=C2)F)C#N)C3=CC=CO3)C(=O)OCC4=CC=CC=C4 |
Product Overview
AC1MUSJU (CAS 796881-75-9), with molecular formula C27H22FN3O4S and molecular weight 503.1315 g/mol. IUPAC: benzyl 5-cyano-6-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate.
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