6-hydroxy-1,3-dimethyl-5-[5-(4-nitrophenyl)-1-propanoyl-4,5-dihydro-1H-pyrazol-3-yl]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
6-hydroxy-1,3-dimethyl-5-[5-(4-nitrophenyl)-1-propanoyl-4,5-dihydro-1H-pyrazol-3-yl]pyrimidine-2,4(1H,3H)-dione
6-hydroxy-1,3-dimethyl-5-[5-(4-nitrophenyl)-1-propanoyl-4,5-dihydro-1H-pyrazol-3-yl]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | D364-1212 |
| Compound Name: | 6-hydroxy-1,3-dimethyl-5-[5-(4-nitrophenyl)-1-propanoyl-4,5-dihydro-1H-pyrazol-3-yl]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 401.38 |
| Molecular Formula: | C18 H19 N5 O6 |
| Smiles: | CCC(N1C(CC(C2=C(N(C)C(N(C)C2=O)=O)O)=N1)c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6726 |
| logD: | -2.5697 |
| logSw: | -2.0201 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 108.214 |
| InChI Key: | PKEQVGROYARQMZ-ZDUSSCGKSA-N |