AC1NNRFD
prop-2-enyl 5-cyano-6-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Also Known As: Oprea1_018902|VU0507415-1|F3009-1559|allyl 5-cyano-6-((2-((4-fluorophenyl)amino)-2-oxoethyl)thio)-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate|prop-2-en-1-yl 5-cyano-6-({[(4-fluorophenyl)carbamoyl]methyl}sulfanyl)-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate|prop-2-enyl 5-cyano-6-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate|prop-2-en-1-yl 5-cyano-6-({2-[(4-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate
| Molecular Formula | C23H20FN3O4S |
|---|---|
| Molecular Weight | 453.11584 g/mol |
| LogP | 4.21578 |
| Topological Polar Surface Area | 104.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 453.11584 |
| Monoisotopic Mass | 453.11584 |
| Heavy Atoms | 32 |
| Complexity | 1115.1104 |
Chemical Identifiers
| CAS Number | 780792-83-8 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)SCC(=O)NC2=CC=C(C=C2)F)C#N)C3=CC=CO3)C(=O)OCC=C |
Product Overview
AC1NNRFD (CAS 780792-83-8), with molecular formula C23H20FN3O4S and molecular weight 453.11584 g/mol. IUPAC: prop-2-enyl 5-cyano-6-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate.