5-[1-acetyl-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-3-(prop-2-en-1-yl)pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
5-[1-acetyl-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-3-(prop-2-en-1-yl)pyrimidine-2,4(1H,3H)-dione
5-[1-acetyl-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-3-(prop-2-en-1-yl)pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | D364-0695 |
| Compound Name: | 5-[1-acetyl-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-3-(prop-2-en-1-yl)pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 399.36 |
| Molecular Formula: | C18 H17 N5 O6 |
| Smiles: | CC(N1C(CC(C2=C(NC(N(CC=C)C2=O)=O)O)=N1)c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.2425 |
| logD: | -3.5362 |
| logSw: | -2.17 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 117.898 |
| InChI Key: | KQRLSNWXFUMKSL-AWEZNQCLSA-N |