AC1OJF9P
ethyl 2-[[2-[(5-propyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate
Also Known As: F2563-0231|ethyl 2-(2-{[5-propyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate|ethyl 2-[[2-[(5-propyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate|ethyl 2-[({[5-propyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate|ethyl 2-(2-((5-propyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate
| Molecular Formula | C20H23N5O3S |
|---|---|
| Molecular Weight | 413.15216 g/mol |
| LogP | 3.251 |
| Topological Polar Surface Area | 91.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 413.15216 |
| Monoisotopic Mass | 413.15216 |
| Heavy Atoms | 29 |
| Complexity | 968.4193 |
Chemical Identifiers
| CAS Number | 896295-16-2 |
|---|---|
| SMILES | CCCC1=NN=C(N1N2C=CC=C2)SCC(=O)NC3=CC=CC=C3C(=O)OCC |
Product Overview
AC1OJF9P (CAS 896295-16-2), with molecular formula C20H23N5O3S and molecular weight 413.15216 g/mol. IUPAC: ethyl 2-[[2-[(5-propyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate.
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