AC1O9DEX
methyl 2-[[4-(4-ethoxyphenyl)-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: F0653-0747|methyl 2-{[4-(4-ethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate|methyl 2-((4-(4-ethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetate|methyl 2-[[4-(4-ethoxyphenyl)-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetate|methyl 2-[[4-(4-ethoxyphenyl)-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]acetate
| Molecular Formula | C21H20N4O3S |
|---|---|
| Molecular Weight | 408.1256 g/mol |
| LogP | 4.0794 |
| Topological Polar Surface Area | 82.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 408.1256 |
| Monoisotopic Mass | 408.1256 |
| Heavy Atoms | 29 |
| Complexity | 1134.5073 |
Chemical Identifiers
| CAS Number | 730991-82-9 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)OC)C3=CNC4=CC=CC=C43 |
Product Overview
AC1O9DEX (CAS 730991-82-9), with molecular formula C21H20N4O3S and molecular weight 408.1256 g/mol. IUPAC: methyl 2-[[4-(4-ethoxyphenyl)-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetate.
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