5-[5-(2H-1,3-benzodioxol-5-yl)-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-3-(2-methoxyphenyl)pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
5-[5-(2H-1,3-benzodioxol-5-yl)-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-3-(2-methoxyphenyl)pyrimidine-2,4(1H,3H)-dione
5-[5-(2H-1,3-benzodioxol-5-yl)-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-3-(2-methoxyphenyl)pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | D364-0331 |
| Compound Name: | 5-[5-(2H-1,3-benzodioxol-5-yl)-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-3-(2-methoxyphenyl)pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 422.4 |
| Molecular Formula: | C21 H18 N4 O6 |
| Smiles: | COc1ccccc1N1C(C(=C(NC1=O)O)C1CC(c2ccc3c(c2)OCO3)NN=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.733 |
| logD: | -3.8959 |
| logSw: | -2.2161 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 104.805 |
| InChI Key: | HQFLHTIYSZPOCC-GFCCVEGCSA-N |