4-[(4-{[3-ethyl-5-hydroxy-1-(4-nitrophenyl)-1H-pyrazol-4-yl]methylidene}-2,5-dioxoimidazolidin-1-yl)methyl]benzonitrile
Chemical Structure Depiction of
4-[(4-{[3-ethyl-5-hydroxy-1-(4-nitrophenyl)-1H-pyrazol-4-yl]methylidene}-2,5-dioxoimidazolidin-1-yl)methyl]benzonitrile
4-[(4-{[3-ethyl-5-hydroxy-1-(4-nitrophenyl)-1H-pyrazol-4-yl]methylidene}-2,5-dioxoimidazolidin-1-yl)methyl]benzonitrile
Compound characteristics
| Compound ID: | V004-4228 |
| Compound Name: | 4-[(4-{[3-ethyl-5-hydroxy-1-(4-nitrophenyl)-1H-pyrazol-4-yl]methylidene}-2,5-dioxoimidazolidin-1-yl)methyl]benzonitrile |
| Molecular Weight: | 458.43 |
| Molecular Formula: | C23 H18 N6 O5 |
| Salt: | not_available |
| Smiles: | CCc1c(/C=C2/C(N(Cc3ccc(C#N)cc3)C(N2)=O)=O)c(n(c2ccc(cc2)[N+]([O-])=O)n1)O |
| Stereo: | ACHIRAL |
| logP: | 2.9734 |
| logD: | 1.8465 |
| logSw: | -3.3999 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 121.647 |
| InChI Key: | VSDMZXILUNEWCT-UHFFFAOYSA-N |