2-[(4-{[3-(2,4-dichlorophenyl)-5-hydroxy-1-(2-methylphenyl)-1H-pyrazol-4-yl]methylidene}-2,5-dioxoimidazolidin-1-yl)methyl]benzonitrile
Chemical Structure Depiction of
2-[(4-{[3-(2,4-dichlorophenyl)-5-hydroxy-1-(2-methylphenyl)-1H-pyrazol-4-yl]methylidene}-2,5-dioxoimidazolidin-1-yl)methyl]benzonitrile
2-[(4-{[3-(2,4-dichlorophenyl)-5-hydroxy-1-(2-methylphenyl)-1H-pyrazol-4-yl]methylidene}-2,5-dioxoimidazolidin-1-yl)methyl]benzonitrile
Compound characteristics
| Compound ID: | V030-7663 |
| Compound Name: | 2-[(4-{[3-(2,4-dichlorophenyl)-5-hydroxy-1-(2-methylphenyl)-1H-pyrazol-4-yl]methylidene}-2,5-dioxoimidazolidin-1-yl)methyl]benzonitrile |
| Molecular Weight: | 544.4 |
| Molecular Formula: | C28 H19 Cl2 N5 O3 |
| Salt: | not_available |
| Smiles: | Cc1ccccc1n1c(c(/C=C2/C(N(Cc3ccccc3C#N)C(N2)=O)=O)c(c2ccc(cc2[Cl])[Cl])n1)O |
| Stereo: | ACHIRAL |
| logP: | 5.6038 |
| logD: | 3.6617 |
| logSw: | -5.5778 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.197 |
| InChI Key: | PBIYCFZUAHBSOE-UHFFFAOYSA-N |