5-[5-(2H-1,3-benzodioxol-5-yl)-4,5-dihydro-1H-pyrazol-3-yl]-3-benzyl-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-benzyl-6-hydroxypyrimidine-2,4(1H,3H)-dione
5-[5-(2H-1,3-benzodioxol-5-yl)-4,5-dihydro-1H-pyrazol-3-yl]-3-benzyl-6-hydroxypyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | D364-0226 |
| Compound Name: | 5-[5-(2H-1,3-benzodioxol-5-yl)-4,5-dihydro-1H-pyrazol-3-yl]-3-benzyl-6-hydroxypyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 406.4 |
| Molecular Formula: | C21 H18 N4 O5 |
| Smiles: | C1C(c2ccc3c(c2)OCO3)NN=C1C1=C(NC(N(Cc2ccccc2)C1=O)=O)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4648 |
| logD: | -3.1451 |
| logSw: | -2.9495 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 98.087 |
| InChI Key: | XPZSPDLCBSTOHB-CQSZACIVSA-N |