5-[1-acetyl-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-3-benzyl-6-hydroxypyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
5-[1-acetyl-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-3-benzyl-6-hydroxypyrimidine-2,4(1H,3H)-dione
5-[1-acetyl-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-3-benzyl-6-hydroxypyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | D364-0870 |
| Compound Name: | 5-[1-acetyl-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-3-benzyl-6-hydroxypyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 449.42 |
| Molecular Formula: | C22 H19 N5 O6 |
| Smiles: | CC(N1C(CC(C2=C(NC(N(Cc3ccccc3)C2=O)=O)O)=N1)c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3573 |
| logD: | -3.0561 |
| logSw: | -2.8721 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 117.648 |
| InChI Key: | YAPLPKSOEYQWEP-SFHVURJKSA-N |