ethyl (4-{[4-hydroxy-2-(methylsulfanyl)-6-oxo-1,6-dihydropyrimidin-5-yl][6-hydroxy-2-(methylsulfanyl)-4-oxo-1,4-dihydropyrimidin-5-yl]methyl}phenoxy)acetate
Chemical Structure Depiction of
ethyl (4-{[4-hydroxy-2-(methylsulfanyl)-6-oxo-1,6-dihydropyrimidin-5-yl][6-hydroxy-2-(methylsulfanyl)-4-oxo-1,4-dihydropyrimidin-5-yl]methyl}phenoxy)acetate
ethyl (4-{[4-hydroxy-2-(methylsulfanyl)-6-oxo-1,6-dihydropyrimidin-5-yl][6-hydroxy-2-(methylsulfanyl)-4-oxo-1,4-dihydropyrimidin-5-yl]methyl}phenoxy)acetate
Compound characteristics
| Compound ID: | 8013-8213 |
| Compound Name: | ethyl (4-{[4-hydroxy-2-(methylsulfanyl)-6-oxo-1,6-dihydropyrimidin-5-yl][6-hydroxy-2-(methylsulfanyl)-4-oxo-1,4-dihydropyrimidin-5-yl]methyl}phenoxy)acetate |
| Molecular Weight: | 506.56 |
| Molecular Formula: | C21 H22 N4 O7 S2 |
| Smiles: | CCOC(COc1ccc(cc1)C(C1=C(NC(=NC1=O)SC)O)C1=C(N=C(NC1=O)SC)O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.4598 |
| logD: | -3.2391 |
| logSw: | -2.1149 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 128.763 |
| InChI Key: | HQLAAYFZFBFWOH-UHFFFAOYSA-N |