5-[1-acetyl-5-(2,5-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-3-(prop-2-en-1-yl)pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
5-[1-acetyl-5-(2,5-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-3-(prop-2-en-1-yl)pyrimidine-2,4(1H,3H)-dione
5-[1-acetyl-5-(2,5-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-3-(prop-2-en-1-yl)pyrimidine-2,4(1H,3H)-dione
Compound characteristics
Compound ID: | D364-0670 |
Compound Name: | 5-[1-acetyl-5-(2,5-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-3-(prop-2-en-1-yl)pyrimidine-2,4(1H,3H)-dione |
Molecular Weight: | 414.42 |
Molecular Formula: | C20 H22 N4 O6 |
Smiles: | CC(N1C(CC(C2=C(NC(N(CC=C)C2=O)=O)O)=N1)c1cc(ccc1OC)OC)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 1.5595 |
logD: | -3.2192 |
logSw: | -2.089 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 99.691 |
InChI Key: | PDKRKDJPRCTBRJ-OAHLLOKOSA-N |