2-[6-(2H-1,3-benzodioxol-5-yl)-2-(4-chlorophenyl)-2,3,4,5-tetrahydropyrimidin-4-yl]-6-ethoxyphenol
Chemical Structure Depiction of
2-[6-(2H-1,3-benzodioxol-5-yl)-2-(4-chlorophenyl)-2,3,4,5-tetrahydropyrimidin-4-yl]-6-ethoxyphenol
2-[6-(2H-1,3-benzodioxol-5-yl)-2-(4-chlorophenyl)-2,3,4,5-tetrahydropyrimidin-4-yl]-6-ethoxyphenol
Compound characteristics
| Compound ID: | K915-0678 |
| Compound Name: | 2-[6-(2H-1,3-benzodioxol-5-yl)-2-(4-chlorophenyl)-2,3,4,5-tetrahydropyrimidin-4-yl]-6-ethoxyphenol |
| Molecular Weight: | 450.92 |
| Molecular Formula: | C25 H23 Cl N2 O4 |
| Smiles: | CCOc1cccc(C2CC(c3ccc4c(c3)OCO4)=NC(c3ccc(cc3)[Cl])N2)c1O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.8022 |
| logD: | 5.5522 |
| logSw: | -6.0068 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.419 |
| InChI Key: | DKTJEGHYHGSWGG-UHFFFAOYSA-N |