AC1OBEJ0
methyl 2-[[5-(1H-indol-3-yl)-4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: AB00684818-01|F0653-0456|methyl 2-{[5-(1H-indol-3-yl)-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate|methyl 2-((5-(1H-indol-3-yl)-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetate|methyl 2-[[5-(1H-indol-3-yl)-4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate|methyl 2-[[5-indol-3-ylidene-4-(3-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetate
| Molecular Formula | C20H18N4O3S |
|---|---|
| Molecular Weight | 394.10995 g/mol |
| LogP | 3.6893 |
| Topological Polar Surface Area | 82.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 394.10995 |
| Monoisotopic Mass | 394.10995 |
| Heavy Atoms | 28 |
| Complexity | 1135.4008 |
Chemical Identifiers
| CAS Number | 852145-55-2 |
|---|---|
| SMILES | COC1=CC=CC(=C1)N2C(=NN=C2SCC(=O)OC)C3=CNC4=CC=CC=C43 |
Product Overview
AC1OBEJ0 (CAS 852145-55-2), with molecular formula C20H18N4O3S and molecular weight 394.10995 g/mol. IUPAC: methyl 2-[[5-(1H-indol-3-yl)-4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate.
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