AC1LQFEE
3-[[2-chloro-4-[(E)-(2,4-dioxo-3-prop-2-ynyl-1,3-thiazolidin-5-ylidene)methyl]-6-methoxyphenoxy]methyl]benzoic acid
Also Known As: 3-[(2-chloro-4-{(E)-[2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}-6-methoxyphenoxy)methyl]benzoic acid|(E)-3-((2-chloro-4-((2,4-dioxo-3-(prop-2-yn-1-yl)thiazolidin-5-ylidene)methyl)-6-methoxyphenoxy)methyl)benzoic acid|3-[[2-chloro-4-[(E)-(2,4-dioxo-3-prop-2-ynyl-1,3-thiazolidin-5-ylidene)methyl]-6-methoxyphenoxy]methyl]benzoic acid
| Molecular Formula | C22H16ClNO6S |
|---|---|
| Molecular Weight | 457.0387 g/mol |
| LogP | 4.2953 |
| Topological Polar Surface Area | 93.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 457.0387 |
| Monoisotopic Mass | 457.0387 |
| Heavy Atoms | 31 |
| Complexity | 1137.3064 |
Chemical Identifiers
| CAS Number | 432002-05-6 |
|---|---|
| SMILES | COC1=C(C(=CC(=C1)/C=C/2\C(=O)N(C(=O)S2)CC#C)Cl)OCC3=CC(=CC=C3)C(=O)O |
Product Overview
AC1LQFEE (CAS 432002-05-6), with molecular formula C22H16ClNO6S and molecular weight 457.0387 g/mol. IUPAC: 3-[[2-chloro-4-[(E)-(2,4-dioxo-3-prop-2-ynyl-1,3-thiazolidin-5-ylidene)methyl]-6-methoxyphenoxy]methyl]benzoic acid.
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