2-[6-(2H-1,3-benzodioxol-5-yl)-2-(3-bromo-4-methoxyphenyl)-2,3,4,5-tetrahydropyrimidin-4-yl]-4-bromophenol
Chemical Structure Depiction of
2-[6-(2H-1,3-benzodioxol-5-yl)-2-(3-bromo-4-methoxyphenyl)-2,3,4,5-tetrahydropyrimidin-4-yl]-4-bromophenol
2-[6-(2H-1,3-benzodioxol-5-yl)-2-(3-bromo-4-methoxyphenyl)-2,3,4,5-tetrahydropyrimidin-4-yl]-4-bromophenol
Compound characteristics
| Compound ID: | K915-1412 |
| Compound Name: | 2-[6-(2H-1,3-benzodioxol-5-yl)-2-(3-bromo-4-methoxyphenyl)-2,3,4,5-tetrahydropyrimidin-4-yl]-4-bromophenol |
| Molecular Weight: | 560.24 |
| Molecular Formula: | C24 H20 Br2 N2 O4 |
| Smiles: | COc1ccc(cc1[Br])C1NC(CC(c2ccc3c(c2)OCO3)=N1)c1cc(ccc1O)[Br] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.9581 |
| logD: | 5.7757 |
| logSw: | -5.4922 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.908 |
| InChI Key: | PHKPRMVOAOGSBX-UHFFFAOYSA-N |