AC1LOXAX
4-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic acid
Also Known As: 4-({[4-(4-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoic acid|4-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic Acid|4-(((5-(pyridin-4-yl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)methyl)benzoic acid|4-(5-Pyridin-4-yl-4-p-tolyl-4H-[1,2,4]triazol-3-ylsulfanylmethyl)-benzoic acid|4-{[4-(4-methylphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-ylthio]methyl}benzoic aci d
| Molecular Formula | C22H18N4O2S |
|---|---|
| Molecular Weight | 402.11505 g/mol |
| LogP | 4.62822 |
| Topological Polar Surface Area | 80.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 402.11505 |
| Monoisotopic Mass | 402.11505 |
| Heavy Atoms | 29 |
| Complexity | 1123.9583 |
Chemical Identifiers
| CAS Number | 499124-82-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)C(=O)O)C4=CC=NC=C4 |
Product Overview
AC1LOXAX (CAS 499124-82-2), with molecular formula C22H18N4O2S and molecular weight 402.11505 g/mol. IUPAC: 4-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic acid.
AC1LOXAX is a custom synthesis product. We offer services from milligram to kilogram scale.
Request a Quote »