2-[6-(2H-1,3-benzodioxol-5-yl)-2-(2-fluorophenyl)-2,3,4,5-tetrahydropyrimidin-4-yl]-6-ethoxyphenol
Chemical Structure Depiction of
2-[6-(2H-1,3-benzodioxol-5-yl)-2-(2-fluorophenyl)-2,3,4,5-tetrahydropyrimidin-4-yl]-6-ethoxyphenol
2-[6-(2H-1,3-benzodioxol-5-yl)-2-(2-fluorophenyl)-2,3,4,5-tetrahydropyrimidin-4-yl]-6-ethoxyphenol
Compound characteristics
Compound ID: | K915-1329 |
Compound Name: | 2-[6-(2H-1,3-benzodioxol-5-yl)-2-(2-fluorophenyl)-2,3,4,5-tetrahydropyrimidin-4-yl]-6-ethoxyphenol |
Molecular Weight: | 434.47 |
Molecular Formula: | C25 H23 F N2 O4 |
Smiles: | CCOc1cccc(C2CC(c3ccc4c(c3)OCO4)=NC(c3ccccc3F)N2)c1O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 5.313 |
logD: | 4.92 |
logSw: | -5.3224 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 60.419 |
InChI Key: | LYSPWHIHUMCJFB-UHFFFAOYSA-N |