AC1MR67K
4-[[2-[3-(1,3-benzodioxol-5-ylmethyl)-2-(2-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetyl]amino]benzoic acid
Also Known As: A3634/0154213|(E)-4-(2-(3-(BENZO[D][1,3]DIOXOL-5-YLMETHYL)-2-((2-FLUOROPHENYL)IMINO)-4-OXOTHIAZOLIDIN-5-YL)ACETAMIDO)BENZOIC ACID|4-[({(2Z)-3-(1,3-benzodioxol-5-ylmethyl)-2-[(2-fluorophenyl)imino]-4-oxo-1,3-thiazolidin-5-yl}acetyl)amino]benzoic acid|4-[(2-{3-(1,3-BENZODIOXOL-5-YLMETHYL)-2-[(2-FLUOROPHENYL)IMINO]-4-OXO-1,3-THIAZOLAN-5-YL}ACETYL)AMINO]BENZOIC ACID|4-[[2-[3-(1,3-benzodioxol-5-ylmethyl)-2-(2-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetyl]amino]benzoic acid
| Molecular Formula | C26H20FN3O6S |
|---|---|
| Molecular Weight | 521.1057 g/mol |
| LogP | 4.4131 |
| Topological Polar Surface Area | 117.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 521.1057 |
| Monoisotopic Mass | 521.1057 |
| Heavy Atoms | 37 |
| Complexity | 1411.6759 |
Chemical Identifiers
| CAS Number | 697239-78-4 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CN3C(=O)C(SC3=NC4=CC=CC=C4F)CC(=O)NC5=CC=C(C=C5)C(=O)O |
Product Overview
AC1MR67K (CAS 697239-78-4), with molecular formula C26H20FN3O6S and molecular weight 521.1057 g/mol. IUPAC: 4-[[2-[3-(1,3-benzodioxol-5-ylmethyl)-2-(2-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetyl]amino]benzoic acid.