5-[1-acetyl-5-(4-nitrophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-3-cyclohexyl-6-hydroxypyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
5-[1-acetyl-5-(4-nitrophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-3-cyclohexyl-6-hydroxypyrimidine-2,4(1H,3H)-dione
5-[1-acetyl-5-(4-nitrophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-3-cyclohexyl-6-hydroxypyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | D364-0827 |
| Compound Name: | 5-[1-acetyl-5-(4-nitrophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-3-cyclohexyl-6-hydroxypyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 441.44 |
| Molecular Formula: | C21 H23 N5 O6 |
| Smiles: | CC(N1C(CC(C2=C(NC(N(C3CCCCC3)C2=O)=O)O)=N1)c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4857 |
| logD: | -2.5797 |
| logSw: | -2.8015 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 116.87 |
| InChI Key: | CDBVXPXHPHLJCZ-KRWDZBQOSA-N |