2-[6-(2H-1,3-benzodioxol-5-yl)-2-(3-bromo-4-fluorophenyl)-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-fluorophenyl)-2,3,4,5-tetrahydropyrimidin-4-yl]-4-bromophenol
2-[6-(2H-1,3-benzodioxol-5-yl)-2-(3-bromo-4-fluorophenyl)-2,3,4,5-tetrahydropyrimidin-4-yl]-4-bromophenol
Compound characteristics
| Compound ID: | K915-1411 |
| Compound Name: | 2-[6-(2H-1,3-benzodioxol-5-yl)-2-(3-bromo-4-fluorophenyl)-2,3,4,5-tetrahydropyrimidin-4-yl]-4-bromophenol |
| Molecular Weight: | 548.2 |
| Molecular Formula: | C23 H17 Br2 F N2 O3 |
| Smiles: | C1C(c2cc(ccc2O)[Br])NC(c2ccc(c(c2)[Br])F)N=C1c1ccc2c(c1)OCO2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.1797 |
| logD: | 5.9507 |
| logSw: | -5.9566 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.278 |
| InChI Key: | NMPYAHDHEAPYLY-UHFFFAOYSA-N |