2-[6-(2H-1,3-benzodioxol-5-yl)-2-hexyl-2-methyl-2,3,4,5-tetrahydropyrimidin-4-yl]-4-bromophenol
Chemical Structure Depiction of
2-[6-(2H-1,3-benzodioxol-5-yl)-2-hexyl-2-methyl-2,3,4,5-tetrahydropyrimidin-4-yl]-4-bromophenol
2-[6-(2H-1,3-benzodioxol-5-yl)-2-hexyl-2-methyl-2,3,4,5-tetrahydropyrimidin-4-yl]-4-bromophenol
Compound characteristics
| Compound ID: | K915-1297 |
| Compound Name: | 2-[6-(2H-1,3-benzodioxol-5-yl)-2-hexyl-2-methyl-2,3,4,5-tetrahydropyrimidin-4-yl]-4-bromophenol |
| Molecular Weight: | 473.41 |
| Molecular Formula: | C24 H29 Br N2 O3 |
| Smiles: | CCCCCCC1(C)NC(CC(c2ccc3c(c2)OCO3)=N1)c1cc(ccc1O)[Br] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.8861 |
| logD: | 6.7007 |
| logSw: | -5.4781 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.341 |
| InChI Key: | UHVJJLOWCHBRDN-UHFFFAOYSA-N |