2-[6-(2H-1,3-benzodioxol-5-yl)-2-(4-bromophenyl)-2,3,4,5-tetrahydropyrimidin-4-yl]phenol
Chemical Structure Depiction of
2-[6-(2H-1,3-benzodioxol-5-yl)-2-(4-bromophenyl)-2,3,4,5-tetrahydropyrimidin-4-yl]phenol
2-[6-(2H-1,3-benzodioxol-5-yl)-2-(4-bromophenyl)-2,3,4,5-tetrahydropyrimidin-4-yl]phenol
Compound characteristics
| Compound ID: | K915-0681 |
| Compound Name: | 2-[6-(2H-1,3-benzodioxol-5-yl)-2-(4-bromophenyl)-2,3,4,5-tetrahydropyrimidin-4-yl]phenol |
| Molecular Weight: | 451.32 |
| Molecular Formula: | C23 H19 Br N2 O3 |
| Smiles: | C1C(c2ccccc2O)NC(c2ccc(cc2)[Br])N=C1c1ccc2c(c1)OCO2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.6361 |
| logD: | 5.4115 |
| logSw: | -5.8109 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.278 |
| InChI Key: | BJTJMIBKMCIMIU-UHFFFAOYSA-N |