5-[5-(2H-1,3-benzodioxol-5-yl)-4,5-dihydro-1H-pyrazol-3-yl]-3-(3-chlorophenyl)-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-chlorophenyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione
5-[5-(2H-1,3-benzodioxol-5-yl)-4,5-dihydro-1H-pyrazol-3-yl]-3-(3-chlorophenyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | D364-0436 |
| Compound Name: | 5-[5-(2H-1,3-benzodioxol-5-yl)-4,5-dihydro-1H-pyrazol-3-yl]-3-(3-chlorophenyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 426.81 |
| Molecular Formula: | C20 H15 Cl N4 O5 |
| Smiles: | C1C(c2ccc3c(c2)OCO3)NN=C1C1=C(NC(N(C1=O)c1cccc(c1)[Cl])=O)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5131 |
| logD: | -3.1158 |
| logSw: | -3.4083 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 97.476 |
| InChI Key: | IRXZVOBOLDONLD-CYBMUJFWSA-N |