AC1Q49SR
2-[[4-(furan-2-ylmethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone
Also Known As: MLS-0046572.0001|AB00401681-09|2-[[4-(furan-2-ylmethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone|2-[[4-(2-furfuryl)-5-(2-pyridyl)-1,2,4-triazol-3-yl]thio]-1-(4-methoxyphenyl)ethanone|2-((4-(furan-2-ylmethyl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-methoxyphenyl)ethanone|2-[[4-(2-furanylmethyl)-5-(2-pyridinyl)-1,2,4-triazol-3-yl]thio]-1-(4-methoxyphenyl)ethanone|2-[4-(2-furylmethyl)-5-(2-pyridyl)(1,2,4-triazol-3-ylthio)]-1-(4-methoxyphenyl )ethan-1-one|2-{[4-(furan-2-ylmethyl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methoxyphenyl)ethan-1-one
| Molecular Formula | C21H18N4O3S |
|---|---|
| Molecular Weight | 406.10995 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 406.10995 |
| Monoisotopic Mass | 406.10995 |
| Heavy Atoms | 29 |
| Complexity | 532.0 |
Chemical Identifiers
| CAS Number | 741272-74-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2CC3=CC=CO3)C4=CC=CC=N4 |
| InChIKey | WPYHQFCCELQHCZ-UHFFFAOYSA-N |
Product Overview
AC1Q49SR (CAS 741272-74-2), with molecular formula C21H18N4O3S and molecular weight 406.10995 g/mol. IUPAC: 2-[[4-(furan-2-ylmethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone.
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