AC1LP3O5
ethyl 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-4-oxo-8-(pyrrolidin-1-ylmethyl)chromene-2-carboxylate
Also Known As: Oprea1_249305|ethyl 3-(benzo[d]thiazol-2-yl)-6-ethyl-7-hydroxy-4-oxo-8-(pyrrolidin-1-ylmethyl)-4H-chromene-2-carboxylate|3-(1,3-benzothiazol-2-yl)-2-ethoxycarbonyl-6-ethyl-4-oxo-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate|ethyl 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-4-oxo-8-(1-pyrrolidinylmethyl)-4H-chromene-2-carboxylate|ethyl 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-4-oxo-8-(pyrrolidin-1-ylmethyl)chromene-2-carboxylate
| Molecular Formula | C26H26N2O5S |
|---|---|
| Molecular Weight | 478.15625 g/mol |
| LogP | 5.1102 |
| Topological Polar Surface Area | 92.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 478.15625 |
| Monoisotopic Mass | 478.15625 |
| Heavy Atoms | 34 |
| Complexity | 1416.3684 |
Chemical Identifiers
| CAS Number | 433703-07-2 |
|---|---|
| SMILES | CCC1=CC2=C(C(=C1O)CN3CCCC3)OC(=C(C2=O)C4=NC5=CC=CC=C5S4)C(=O)OCC |
Product Overview
AC1LP3O5 (CAS 433703-07-2), with molecular formula C26H26N2O5S and molecular weight 478.15625 g/mol. IUPAC: ethyl 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-4-oxo-8-(pyrrolidin-1-ylmethyl)chromene-2-carboxylate.