2-[6-(2H-1,3-benzodioxol-5-yl)-2-(2,4-dimethylphenyl)-2,3,4,5-tetrahydropyrimidin-4-yl]-4-bromophenol
Chemical Structure Depiction of
2-[6-(2H-1,3-benzodioxol-5-yl)-2-(2,4-dimethylphenyl)-2,3,4,5-tetrahydropyrimidin-4-yl]-4-bromophenol
2-[6-(2H-1,3-benzodioxol-5-yl)-2-(2,4-dimethylphenyl)-2,3,4,5-tetrahydropyrimidin-4-yl]-4-bromophenol
Compound characteristics
| Compound ID: | K915-1307 |
| Compound Name: | 2-[6-(2H-1,3-benzodioxol-5-yl)-2-(2,4-dimethylphenyl)-2,3,4,5-tetrahydropyrimidin-4-yl]-4-bromophenol |
| Molecular Weight: | 479.37 |
| Molecular Formula: | C25 H23 Br N2 O3 |
| Smiles: | Cc1ccc(C2NC(CC(c3ccc4c(c3)OCO4)=N2)c2cc(ccc2O)[Br])c(C)c1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.6183 |
| logD: | 5.9442 |
| logSw: | -5.561 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.278 |
| InChI Key: | KQRAFKVRRZGXKI-UHFFFAOYSA-N |