2-[6-(2H-1,3-benzodioxol-5-yl)-2-(2-methoxyphenyl)-2,3,4,5-tetrahydropyrimidin-4-yl]phenol
Chemical Structure Depiction of
2-[6-(2H-1,3-benzodioxol-5-yl)-2-(2-methoxyphenyl)-2,3,4,5-tetrahydropyrimidin-4-yl]phenol
2-[6-(2H-1,3-benzodioxol-5-yl)-2-(2-methoxyphenyl)-2,3,4,5-tetrahydropyrimidin-4-yl]phenol
Compound characteristics
| Compound ID: | K915-0695 |
| Compound Name: | 2-[6-(2H-1,3-benzodioxol-5-yl)-2-(2-methoxyphenyl)-2,3,4,5-tetrahydropyrimidin-4-yl]phenol |
| Molecular Weight: | 402.45 |
| Molecular Formula: | C24 H22 N2 O4 |
| Smiles: | COc1ccccc1C1NC(CC(c2ccc3c(c2)OCO3)=N1)c1ccccc1O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.9032 |
| logD: | 4.5398 |
| logSw: | -4.329 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.908 |
| InChI Key: | MCGSBSXAMIYDJG-UHFFFAOYSA-N |