methyl 4-[6-(3,5-dibromo-2-hydroxyphenyl)-4-(4-methoxyphenyl)-1,2,5,6-tetrahydropyrimidin-2-yl]benzoate
Chemical Structure Depiction of
methyl 4-[6-(3,5-dibromo-2-hydroxyphenyl)-4-(4-methoxyphenyl)-1,2,5,6-tetrahydropyrimidin-2-yl]benzoate
methyl 4-[6-(3,5-dibromo-2-hydroxyphenyl)-4-(4-methoxyphenyl)-1,2,5,6-tetrahydropyrimidin-2-yl]benzoate
Compound characteristics
| Compound ID: | K915-1376 |
| Compound Name: | methyl 4-[6-(3,5-dibromo-2-hydroxyphenyl)-4-(4-methoxyphenyl)-1,2,5,6-tetrahydropyrimidin-2-yl]benzoate |
| Molecular Weight: | 574.27 |
| Molecular Formula: | C25 H22 Br2 N2 O4 |
| Smiles: | COC(c1ccc(cc1)C1NC(CC(c2ccc(cc2)OC)=N1)c1cc(cc(c1O)[Br])[Br])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.5054 |
| logD: | 6.4633 |
| logSw: | -5.5599 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.811 |
| InChI Key: | IDMLNEFDSBHAFS-UHFFFAOYSA-N |