AC1MX52X
5-acetyl-4-(4-butoxyphenyl)-6-methyl-2-prop-2-enylsulfanyl-1,4-dihydropyridine-3-carbonitrile
Also Known As: AG-205/11956379|5-acetyl-4-(4-butoxyphenyl)-6-methyl-2-prop-2-enylsulfanyl-1,4-dihydropyridine-3-carbonitrile|5-acetyl-2-(allylsulfanyl)-4-(4-butoxyphenyl)-6-methyl-1,4-dihydro-3-pyridinecarbonitrile|5-acetyl-2-(allylthio)-4-(4-butoxyphenyl)-6-methyl-1,4-dihydropyridine-3-carbonitrile|5-acetyl-4-(4-butoxyphenyl)-6-methyl-2-(prop-2-en-1-ylsulfanyl)-1,4-dihydropyridine-3-carbonitrile
| Molecular Formula | C22H26N2O2S |
|---|---|
| Molecular Weight | 382.1715 g/mol |
| LogP | 5.06968 |
| Topological Polar Surface Area | 62.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 382.1715 |
| Monoisotopic Mass | 382.1715 |
| Heavy Atoms | 27 |
| Complexity | 800.59686 |
Chemical Identifiers
| CAS Number | 330591-68-9 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)C2C(=C(NC(=C2C(=O)C)C)SCC=C)C#N |
Product Overview
AC1MX52X (CAS 330591-68-9), with molecular formula C22H26N2O2S and molecular weight 382.1715 g/mol. IUPAC: 5-acetyl-4-(4-butoxyphenyl)-6-methyl-2-prop-2-enylsulfanyl-1,4-dihydropyridine-3-carbonitrile.
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