2-{6-(2H-1,3-benzodioxol-5-yl)-2-[4-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydropyrimidin-4-yl}-4-chlorophenol
Chemical Structure Depiction of
2-{6-(2H-1,3-benzodioxol-5-yl)-2-[4-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydropyrimidin-4-yl}-4-chlorophenol
2-{6-(2H-1,3-benzodioxol-5-yl)-2-[4-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydropyrimidin-4-yl}-4-chlorophenol
Compound characteristics
| Compound ID: | K915-1363 |
| Compound Name: | 2-{6-(2H-1,3-benzodioxol-5-yl)-2-[4-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydropyrimidin-4-yl}-4-chlorophenol |
| Molecular Weight: | 474.87 |
| Molecular Formula: | C24 H18 Cl F3 N2 O3 |
| Smiles: | C1C(c2cc(ccc2O)[Cl])NC(c2ccc(cc2)C(F)(F)F)N=C1c1ccc2c(c1)OCO2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.3148 |
| logD: | 5.4224 |
| logSw: | -6.3492 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.278 |
| InChI Key: | MAHGKCXYZMVQEM-UHFFFAOYSA-N |