methyl 4-[6-(5-bromo-2-hydroxyphenyl)-4-(4-methylphenyl)-1,2,5,6-tetrahydropyrimidin-2-yl]benzoate
Chemical Structure Depiction of
methyl 4-[6-(5-bromo-2-hydroxyphenyl)-4-(4-methylphenyl)-1,2,5,6-tetrahydropyrimidin-2-yl]benzoate
methyl 4-[6-(5-bromo-2-hydroxyphenyl)-4-(4-methylphenyl)-1,2,5,6-tetrahydropyrimidin-2-yl]benzoate
Compound characteristics
| Compound ID: | K915-1519 |
| Compound Name: | methyl 4-[6-(5-bromo-2-hydroxyphenyl)-4-(4-methylphenyl)-1,2,5,6-tetrahydropyrimidin-2-yl]benzoate |
| Molecular Weight: | 479.37 |
| Molecular Formula: | C25 H23 Br N2 O3 |
| Smiles: | Cc1ccc(cc1)C1CC(c2cc(ccc2O)[Br])NC(c2ccc(cc2)C(=O)OC)N=1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.1871 |
| logD: | 6.0286 |
| logSw: | -5.2907 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.336 |
| InChI Key: | BFZSWSMKSIOXQV-UHFFFAOYSA-N |