AC1LKRCP
2-[[5-[(4-methoxyanilino)methyl]-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-ylacetamide
Also Known As: BAS 02325168|2-((4-(4-Methoxyphenyl)-5-(((4-methoxyphenyl)amino)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(naphthalen-1-yl)acetamide|AG-690/40754032|2-{[4-(4-methoxyphenyl)-5-{[(4-methoxyphenyl)amino]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(naphthalen-1-yl)acetamide|2-({5-[(4-Methoxyanilino)methyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(naphthalen-1-yl)acetamide|2-(4-(4-methoxyphenyl)-5-{[(4-methoxyphenyl)amino]methyl}(1,2,4-triazol-3-ylth io))-N-naphthylacetamide|2-[[5-[(4-methoxyanilino)methyl]-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-ylacetamide|2-{[5-[(4-methoxyanilino)methyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1-naphthyl)acetamide|2-{4-(4-Methoxy-phenyl)-5-[(4-methoxy-phenylamino)-methyl]-4H-[1,2,4]triazol-3-ylsulfanyl}-N-naphthalen-1-yl-acetamide
| Molecular Formula | C29H27N5O3S |
|---|---|
| Molecular Weight | 525.1835 g/mol |
| LogP | 5.7806 |
| Topological Polar Surface Area | 90.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 525.1835 |
| Monoisotopic Mass | 525.1835 |
| Heavy Atoms | 38 |
| Complexity | 1529.4645 |
Chemical Identifiers
| CAS Number | 3845-79-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NCC2=NN=C(N2C3=CC=C(C=C3)OC)SCC(=O)NC4=CC=CC5=CC=CC=C54 |
Product Overview
AC1LKRCP (CAS 3845-79-2), with molecular formula C29H27N5O3S and molecular weight 525.1835 g/mol. IUPAC: 2-[[5-[(4-methoxyanilino)methyl]-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-ylacetamide.