AC1LQUI1
2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dihydroxyphenyl)ethanone
Also Known As: MLS-0390855.0001|2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dihydroxyphenyl)ethanone|1-(3,4-dihydroxyphenyl)-2-{5-[4-(tert-butyl)phenyl]-4-prop-2-enyl(1,2,4-triazo l-3-ylthio)}ethan-1-one|1-[3,4-bis(oxidanyl)phenyl]-2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanone|2-((4-allyl-5-(4-(tert-butyl)phenyl)-4H-1,2,4-triazol-3-yl)thio)-1-(3,4-dihydroxyphenyl)ethanone|2-[[4-allyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]thio]-1-(3,4-dihydroxyphenyl)ethanone|2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1-(3,4-dihydroxyphenyl)ethanone|2-{[5-(4-tert-butylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3,4-dihydroxyphenyl)ethan-1-one|2-{[5-(4-tert-butylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3,4-dihydroxyphenyl)ethanone
| Molecular Formula | C23H25N3O3S |
|---|---|
| Molecular Weight | 423.16165 g/mol |
| LogP | 4.8148 |
| Topological Polar Surface Area | 88.24 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 423.16165 |
| Monoisotopic Mass | 423.16165 |
| Heavy Atoms | 30 |
| Complexity | 1066.2876 |
Chemical Identifiers
| CAS Number | 713095-01-3 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC(=O)C3=CC(=C(C=C3)O)O |
Product Overview
AC1LQUI1 (CAS 713095-01-3), with molecular formula C23H25N3O3S and molecular weight 423.16165 g/mol. IUPAC: 2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dihydroxyphenyl)ethanone.