AC1LO4SF
3-[[5-(3,4-dimethoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid
Also Known As: CBKinase1_011572|CBKinase1_023972|F1743-0046|SR-01000299738-1|BRD-K64435743-001-01-6|3-{[5-(3,4-dimethoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}propanoic acid|3-[5-(3,4-dimethoxyphenyl)-4-methyl-1,2,4-triazol-3-ylthio]propanoic acid|3-[[5-(3,4-dimethoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid|3-((5-(3,4-dimethoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)propanoic acid|3-[5-(3,4-dimethoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-ylthio]propionic acid|3-{[5-(3,4-dimethoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]thio}propanoic acid
| Molecular Formula | C14H17N3O4S |
|---|---|
| Molecular Weight | 323.09396 g/mol |
| LogP | 2.0661 |
| Topological Polar Surface Area | 86.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 323.09396 |
| Monoisotopic Mass | 323.09396 |
| Heavy Atoms | 22 |
| Complexity | 672.1027 |
Chemical Identifiers
| CAS Number | 690249-66-2 |
|---|---|
| SMILES | CN1C(=NN=C1SCCC(=O)O)C2=CC(=C(C=C2)OC)OC |
Product Overview
AC1LO4SF (CAS 690249-66-2), with molecular formula C14H17N3O4S and molecular weight 323.09396 g/mol. IUPAC: 3-[[5-(3,4-dimethoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid.
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