AC1O9YZB
diethyl 2-[[4-(4-fluorophenyl)-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]propanedioate
Also Known As: F0653-0852|diethyl 2-((4-(4-fluorophenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl)thio)malonate|1,3-diethyl 2-{[4-(4-fluorophenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanedioate|Diethyl 2-[[4-(4-fluorophenyl)-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]propanedioate|diethyl [4-(p-fluorophenyl)-5-(3-indolyl)-4H-1,2,4-triazol-3-ylthio]malonate|diethyl 2-[[4-(4-fluorophenyl)-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]propanedioate
| Molecular Formula | C23H21FN4O4S |
|---|---|
| Molecular Weight | 468.12674 g/mol |
| LogP | 4.1416 |
| Topological Polar Surface Area | 99.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 468.12674 |
| Monoisotopic Mass | 468.12674 |
| Heavy Atoms | 33 |
| Complexity | 1267.3611 |
Chemical Identifiers
| CAS Number | 852167-75-0 |
|---|---|
| SMILES | CCOC(=O)C(C(=O)OCC)SC1=NN=C(N1C2=CC=C(C=C2)F)C3=CNC4=CC=CC=C43 |
Product Overview
AC1O9YZB (CAS 852167-75-0), with molecular formula C23H21FN4O4S and molecular weight 468.12674 g/mol. IUPAC: diethyl 2-[[4-(4-fluorophenyl)-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]propanedioate.
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