YM 13650
3-(3-imidazo[2,1-b][1,3]benzothiazol-2-ylphenoxy)-3-oxopropanoic acid
Also Known As: YM 13650|2-(3-Carboxyacetoxyphenyl)imidazo(2,1-b)benzothiazole|3-(3-imidazo[2,1-b][1,3]benzothiazol-2-ylphenoxy)-3-oxopropanoic acid|2-(m-carboxyacetoxyphenyl)imidazo[2,1-b]benzothiazole|Propanedioic acid, mono(3-imidazo(2,1-b)benzothiazol-2-ylphenyl) ester|3-(3-(Benzo[d]imidazo[2,1-b]thiazol-2-yl)phenoxy)-3-oxopropanoic acid|3-[3-(Imidazo[2,1-b][1,3]benzothiazol-2-yl)phenoxy]-3-oxopropanoic acid|Malonic acid hydrogen 1-[3-[imidazo[2,1-b]benzothiazol-2-yl]phenyl] ester|3-oxo-3-(3-{7-thia-2,5-diazatricyclo[6.4.0.02,6]dodeca-1(12),3,5,8,10-pentaen-4-yl}phenoxy)propanoic acid
| Molecular Formula | C18H12N2O4S |
|---|---|
| Molecular Weight | 352.0518 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 352.0518 |
| Monoisotopic Mass | 352.0518 |
| Heavy Atoms | 25 |
| Complexity | 531.0 |
Chemical Identifiers
| CAS Number | 87545-58-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N3C=C(N=C3S2)C4=CC(=CC=C4)OC(=O)CC(=O)O |
| InChIKey | DNWBCBXQFVFCFB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
YM 13650 (CAS 87545-58-2), with molecular formula C18H12N2O4S and molecular weight 352.0518 g/mol. IUPAC: 3-(3-imidazo[2,1-b][1,3]benzothiazol-2-ylphenoxy)-3-oxopropanoic acid.
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