5-{[1-(3-chlorophenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]methylidene}-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione
Chemical Structure Depiction of
5-{[1-(3-chlorophenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]methylidene}-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione
5-{[1-(3-chlorophenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]methylidene}-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione
Compound characteristics
| Compound ID: | V004-4258 |
| Compound Name: | 5-{[1-(3-chlorophenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]methylidene}-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione |
| Molecular Weight: | 453.84 |
| Molecular Formula: | C21 H16 Cl N5 O5 |
| Salt: | not_available |
| Smiles: | Cc1c(/C=C2/C(N(Cc3ccc(cc3)[N+]([O-])=O)C(N2)=O)=O)c(n(c2cccc(c2)[Cl])n1)O |
| Stereo: | ACHIRAL |
| logP: | 3.3515 |
| logD: | 2.0952 |
| logSw: | -3.5647 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 103.902 |
| InChI Key: | CJYJVSZUXYLVGG-ZDLGFXPLSA-N |