3-{[4-({5-hydroxy-1-(2-methylphenyl)-3-[(2-methylphenyl)methyl]-1H-pyrazol-4-yl}methylidene)-2,5-dioxoimidazolidin-1-yl]methyl}benzonitrile
Chemical Structure Depiction of
3-{[4-({5-hydroxy-1-(2-methylphenyl)-3-[(2-methylphenyl)methyl]-1H-pyrazol-4-yl}methylidene)-2,5-dioxoimidazolidin-1-yl]methyl}benzonitrile
3-{[4-({5-hydroxy-1-(2-methylphenyl)-3-[(2-methylphenyl)methyl]-1H-pyrazol-4-yl}methylidene)-2,5-dioxoimidazolidin-1-yl]methyl}benzonitrile
Compound characteristics
| Compound ID: | V004-4985 |
| Compound Name: | 3-{[4-({5-hydroxy-1-(2-methylphenyl)-3-[(2-methylphenyl)methyl]-1H-pyrazol-4-yl}methylidene)-2,5-dioxoimidazolidin-1-yl]methyl}benzonitrile |
| Molecular Weight: | 503.56 |
| Molecular Formula: | C30 H25 N5 O3 |
| Salt: | not_available |
| Smiles: | Cc1ccccc1Cc1c(/C=C2/C(N(Cc3cccc(C#N)c3)C(N2)=O)=O)c(n(c2ccccc2C)n1)O |
| Stereo: | ACHIRAL |
| logP: | 5.213 |
| logD: | 4.3458 |
| logSw: | -4.8546 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.693 |
| InChI Key: | KPCMBWMQAIRJBU-UHFFFAOYSA-N |