5-{[3-ethyl-5-hydroxy-1-(4-nitrophenyl)-1H-pyrazol-4-yl]methylidene}-3-{[3-(trifluoromethyl)phenyl]methyl}imidazolidine-2,4-dione
Chemical Structure Depiction of
5-{[3-ethyl-5-hydroxy-1-(4-nitrophenyl)-1H-pyrazol-4-yl]methylidene}-3-{[3-(trifluoromethyl)phenyl]methyl}imidazolidine-2,4-dione
5-{[3-ethyl-5-hydroxy-1-(4-nitrophenyl)-1H-pyrazol-4-yl]methylidene}-3-{[3-(trifluoromethyl)phenyl]methyl}imidazolidine-2,4-dione
Compound characteristics
| Compound ID: | V027-4777 |
| Compound Name: | 5-{[3-ethyl-5-hydroxy-1-(4-nitrophenyl)-1H-pyrazol-4-yl]methylidene}-3-{[3-(trifluoromethyl)phenyl]methyl}imidazolidine-2,4-dione |
| Molecular Weight: | 501.42 |
| Molecular Formula: | C23 H18 F3 N5 O5 |
| Salt: | not_available |
| Smiles: | CCc1c(/C=C2/C(N(Cc3cccc(c3)C(F)(F)F)C(N2)=O)=O)c(n(c2ccc(cc2)[N+]([O-])=O)n1)O |
| Stereo: | ACHIRAL |
| logP: | 4.0758 |
| logD: | 2.9488 |
| logSw: | -4.0599 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 104.59 |
| InChI Key: | CBJYLKWQMBKUME-UHFFFAOYSA-N |