4-{1-[(4,6-dimethoxypyrimidin-2-yl)amino]ethylidene}-5-methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-{1-[(4,6-dimethoxypyrimidin-2-yl)amino]ethylidene}-5-methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
4-{1-[(4,6-dimethoxypyrimidin-2-yl)amino]ethylidene}-5-methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | Y600-1706 |
| Compound Name: | 4-{1-[(4,6-dimethoxypyrimidin-2-yl)amino]ethylidene}-5-methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 398.38 |
| Molecular Formula: | C18 H18 N6 O5 |
| Smiles: | C/C(=C1\C(C)=NN(C1=O)c1ccc(cc1)[N+]([O-])=O)Nc1nc(cc(n1)OC)OC |
| Stereo: | ACHIRAL |
| logP: | 3.223 |
| logD: | 1.0691 |
| logSw: | -3.5552 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 103.784 |
| InChI Key: | HEOYGEAINHBUFX-UHFFFAOYSA-N |