AC1NKE1U
N-(4-butan-2-ylphenyl)-2-[[4-(4-ethoxyphenyl)-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: 2-{4-(4-ethoxyphenyl)-5-[(4-methylphenoxy)methyl](1,2,4-triazol-3-ylthio)}-N-[ 4-(methylpropyl)phenyl]acetamide|N-(4-(sec-butyl)phenyl)-2-((4-(4-ethoxyphenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide|N-(4-butan-2-ylphenyl)-2-[[4-(4-ethoxyphenyl)-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide|N-[4-(butan-2-yl)phenyl]-2-({4-(4-ethoxyphenyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide|N-[4-(butan-2-yl)phenyl]-2-{[4-(4-ethoxyphenyl)-5-(4-methylphenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
| Molecular Formula | C30H34N4O3S |
|---|---|
| Molecular Weight | 530.23517 g/mol |
| LogP | 6.79772 |
| Topological Polar Surface Area | 78.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 530.23517 |
| Monoisotopic Mass | 530.23517 |
| Heavy Atoms | 38 |
| Complexity | 1319.3774 |
Chemical Identifiers
| CAS Number | 896809-91-9 |
|---|---|
| SMILES | CCC(C)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)OCC)COC4=CC=C(C=C4)C |
Product Overview
AC1NKE1U (CAS 896809-91-9), with molecular formula C30H34N4O3S and molecular weight 530.23517 g/mol. IUPAC: N-(4-butan-2-ylphenyl)-2-[[4-(4-ethoxyphenyl)-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide.