5-[5-(2H-1,3-benzodioxol-5-yl)-4,5-dihydro-1H-pyrazol-3-yl]-3-(3,5-dimethylphenyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
5-[5-(2H-1,3-benzodioxol-5-yl)-4,5-dihydro-1H-pyrazol-3-yl]-3-(3,5-dimethylphenyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione
5-[5-(2H-1,3-benzodioxol-5-yl)-4,5-dihydro-1H-pyrazol-3-yl]-3-(3,5-dimethylphenyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | D364-0401 |
| Compound Name: | 5-[5-(2H-1,3-benzodioxol-5-yl)-4,5-dihydro-1H-pyrazol-3-yl]-3-(3,5-dimethylphenyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 420.42 |
| Molecular Formula: | C22 H20 N4 O5 |
| Smiles: | Cc1cc(C)cc(c1)N1C(C(=C(NC1=O)O)C1CC(c2ccc3c(c2)OCO3)NN=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9089 |
| logD: | -2.72 |
| logSw: | -3.1032 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 97.476 |
| InChI Key: | XGAILSNNALYUJT-OAHLLOKOSA-N |