2-[6-(2H-1,3-benzodioxol-5-yl)-2-(3-bromo-4-fluorophenyl)-2,3,4,5-tetrahydropyrimidin-4-yl]-6-ethoxyphenol
Chemical Structure Depiction of
2-[6-(2H-1,3-benzodioxol-5-yl)-2-(3-bromo-4-fluorophenyl)-2,3,4,5-tetrahydropyrimidin-4-yl]-6-ethoxyphenol
2-[6-(2H-1,3-benzodioxol-5-yl)-2-(3-bromo-4-fluorophenyl)-2,3,4,5-tetrahydropyrimidin-4-yl]-6-ethoxyphenol
Compound characteristics
| Compound ID: | K915-1330 |
| Compound Name: | 2-[6-(2H-1,3-benzodioxol-5-yl)-2-(3-bromo-4-fluorophenyl)-2,3,4,5-tetrahydropyrimidin-4-yl]-6-ethoxyphenol |
| Molecular Weight: | 513.36 |
| Molecular Formula: | C25 H22 Br F N2 O4 |
| Smiles: | CCOc1cccc(C2CC(c3ccc4c(c3)OCO4)=NC(c3ccc(c(c3)[Br])F)N2)c1O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.8175 |
| logD: | 5.5889 |
| logSw: | -5.6083 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.419 |
| InChI Key: | KZWBGUXNUSAWDF-UHFFFAOYSA-N |