3-[(4-{[5-hydroxy-1-(4-nitrophenyl)-3-phenyl-1H-pyrazol-4-yl]methylidene}-2,5-dioxoimidazolidin-1-yl)methyl]benzonitrile
Chemical Structure Depiction of
3-[(4-{[5-hydroxy-1-(4-nitrophenyl)-3-phenyl-1H-pyrazol-4-yl]methylidene}-2,5-dioxoimidazolidin-1-yl)methyl]benzonitrile
3-[(4-{[5-hydroxy-1-(4-nitrophenyl)-3-phenyl-1H-pyrazol-4-yl]methylidene}-2,5-dioxoimidazolidin-1-yl)methyl]benzonitrile
Compound characteristics
| Compound ID: | V011-0109 |
| Compound Name: | 3-[(4-{[5-hydroxy-1-(4-nitrophenyl)-3-phenyl-1H-pyrazol-4-yl]methylidene}-2,5-dioxoimidazolidin-1-yl)methyl]benzonitrile |
| Molecular Weight: | 506.48 |
| Molecular Formula: | C27 H18 N6 O5 |
| Salt: | not_available |
| Smiles: | C(c1cccc(C#N)c1)N1C(/C(=C/c2c(c3ccccc3)nn(c3ccc(cc3)[N+]([O-])=O)c2O)NC1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.738 |
| logD: | 1.164 |
| logSw: | -4.0287 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 120.88 |
| InChI Key: | DAJKMXCGUXXYIY-UHFFFAOYSA-N |