5-[1-acetyl-5-(3-hydroxy-4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-3-benzyl-6-hydroxypyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
5-[1-acetyl-5-(3-hydroxy-4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-3-benzyl-6-hydroxypyrimidine-2,4(1H,3H)-dione
5-[1-acetyl-5-(3-hydroxy-4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-3-benzyl-6-hydroxypyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | D364-0857 |
| Compound Name: | 5-[1-acetyl-5-(3-hydroxy-4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-3-benzyl-6-hydroxypyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 450.45 |
| Molecular Formula: | C23 H22 N4 O6 |
| Smiles: | CC(N1C(CC(C2=C(NC(N(Cc3ccccc3)C2=O)=O)O)=N1)c1ccc(c(c1)O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8933 |
| logD: | -3.52 |
| logSw: | -2.5818 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 108.445 |
| InChI Key: | HFPFGUIBUAVXRO-QGZVFWFLSA-N |