AC1MRM4I
2-(4-chlorophenoxy)-N-[[5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]acetamide
Also Known As: 2-(4-chlorophenoxy)-N-((5-((2-(indolin-1-yl)-2-oxoethyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)acetamide|F0508-3155|2-(4-chlorophenoxy)-N-[(5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]acetamide|2-(4-chlorophenoxy)-N-[[5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]acetamide
| Molecular Formula | C27H24ClN5O3S |
|---|---|
| Molecular Weight | 533.12885 g/mol |
| LogP | 4.2973 |
| Topological Polar Surface Area | 89.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 533.12885 |
| Monoisotopic Mass | 533.12885 |
| Heavy Atoms | 37 |
| Complexity | 1394.9392 |
Chemical Identifiers
| CAS Number | 391950-97-3 |
|---|---|
| SMILES | C1CN(C2=CC=CC=C21)C(=O)CSC3=NN=C(N3C4=CC=CC=C4)CNC(=O)COC5=CC=C(C=C5)Cl |
Product Overview
AC1MRM4I (CAS 391950-97-3), with molecular formula C27H24ClN5O3S and molecular weight 533.12885 g/mol. IUPAC: 2-(4-chlorophenoxy)-N-[[5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]acetamide.
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