AC1LR0YK
2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(3-methoxyphenyl)ethanone
Also Known As: 2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(3-methoxyphenyl)ethanone|2-((4-(4-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(3-methoxyphenyl)ethanone|2-{[4-(4-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3-methoxyphenyl)ethan-1-one|2-{[4-(4-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3-methoxyphenyl)ethanone
| Molecular Formula | C22H17ClN4O2S |
|---|---|
| Molecular Weight | 436.07608 g/mol |
| LogP | 4.9663 |
| Topological Polar Surface Area | 69.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 436.07608 |
| Monoisotopic Mass | 436.07608 |
| Heavy Atoms | 30 |
| Complexity | 1163.4933 |
Chemical Identifiers
| CAS Number | 613225-77-7 |
|---|---|
| SMILES | COC1=CC=CC(=C1)C(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)C4=CC=NC=C4 |
Product Overview
AC1LR0YK (CAS 613225-77-7), with molecular formula C22H17ClN4O2S and molecular weight 436.07608 g/mol. IUPAC: 2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(3-methoxyphenyl)ethanone.
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