AC1NE7AL
benzyl 5-cyano-6-[2-(4-ethylanilino)-2-oxoethyl]sulfanyl-2-methyl-4-(4-propan-2-ylphenyl)-1,4-dihydropyridine-3-carboxylate
Also Known As: benzyl 5-cyano-6-({2-[(4-ethylphenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-4-[4-(propan-2-yl)phenyl]-1,4-dihydropyridine-3-carboxylate|benzyl 5-cyano-6-((2-((4-ethylphenyl)amino)-2-oxoethyl)thio)-4-(4-isopropylphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate|benzyl 5-cyano-6-[2-(4-ethylanilino)-2-oxoethyl]sulfanyl-2-methyl-4-(4-propan-2-ylphenyl)-1,4-dihydropyridine-3-carboxylate|Phenylmethyl 5-cyano-6-[[2-[(4-ethylphenyl)amino]-2-oxoethyl]thio]-1,4-dihydro-2-methyl-4-[4-(1-methylethyl)phenyl]-3-pyridinecarboxylate
| Molecular Formula | C34H35N3O3S |
|---|---|
| Molecular Weight | 565.2399 g/mol |
| LogP | 7.18368 |
| Topological Polar Surface Area | 91.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 565.2399 |
| Monoisotopic Mass | 565.2399 |
| Heavy Atoms | 41 |
| Complexity | 1484.9191 |
Chemical Identifiers
| CAS Number | 369394-55-8 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)NC(=O)CSC2=C(C(C(=C(N2)C)C(=O)OCC3=CC=CC=C3)C4=CC=C(C=C4)C(C)C)C#N |
Product Overview
AC1NE7AL (CAS 369394-55-8), with molecular formula C34H35N3O3S and molecular weight 565.2399 g/mol. IUPAC: benzyl 5-cyano-6-[2-(4-ethylanilino)-2-oxoethyl]sulfanyl-2-methyl-4-(4-propan-2-ylphenyl)-1,4-dihydropyridine-3-carboxylate.