Butyric acid, 5-ester with 5-(2-hydroxypropyl)-5-phenylbarbituric acid
(2,4,6-trioxo-5-phenyl-5-propyl-1,3-diazinan-1-yl) butanoate
Also Known As: KST-1B5550|5-Phenyl-5-(2-butyroxypropyl)barbituric acid|5-25-03-00344 (Beilstein Handbook Reference)|Butyric acid, 5-ester with 5-(2-hydroxypropyl)-5-phenylbarbituric acid|1-(butanoyloxy)-5-phenyl-5-propylpyrimidine-2,4,6(1h,3h,5h)-trione|(2,4,6-trioxo-5-phenyl-5-propyl-1,3-diazinan-1-yl) butanoate|3-(Butanoyloxy)-6-hydroxy-5-phenyl-5-propylpyrimidine-2,4(3H,5H)-dione|4-Hydroxy-2,6-dioxo-5-phenyl-5-propyl-5,6-dihydropyrimidin-1(2H)-yl butanoate
| Molecular Formula | C17H20N2O5 |
|---|---|
| Molecular Weight | 332.1372 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 92.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 332.1372 |
| Monoisotopic Mass | 332.1372 |
| Heavy Atoms | 24 |
| Complexity | 527.0 |
Chemical Identifiers
| CAS Number | 55666-89-2 |
|---|---|
| SMILES | CCCC(=O)ON1C(=O)C(C(=O)NC1=O)(CCC)C2=CC=CC=C2 |
| InChIKey | PELAACFWZFHXDR-UHFFFAOYSA-N |
Product Overview
Butyric acid, 5-ester with 5-(2-hydroxypropyl)-5-phenylbarbituric acid (CAS 55666-89-2), with molecular formula C17H20N2O5 and molecular weight 332.1372 g/mol. IUPAC: (2,4,6-trioxo-5-phenyl-5-propyl-1,3-diazinan-1-yl) butanoate.