methyl 3-[(4-{[5-hydroxy-1-(4-nitrophenyl)-3-phenyl-1H-pyrazol-4-yl]methylidene}-2,5-dioxoimidazolidin-1-yl)methyl]benzoate
Chemical Structure Depiction of
methyl 3-[(4-{[5-hydroxy-1-(4-nitrophenyl)-3-phenyl-1H-pyrazol-4-yl]methylidene}-2,5-dioxoimidazolidin-1-yl)methyl]benzoate
methyl 3-[(4-{[5-hydroxy-1-(4-nitrophenyl)-3-phenyl-1H-pyrazol-4-yl]methylidene}-2,5-dioxoimidazolidin-1-yl)methyl]benzoate
Compound characteristics
| Compound ID: | V011-5746 |
| Compound Name: | methyl 3-[(4-{[5-hydroxy-1-(4-nitrophenyl)-3-phenyl-1H-pyrazol-4-yl]methylidene}-2,5-dioxoimidazolidin-1-yl)methyl]benzoate |
| Molecular Weight: | 539.5 |
| Molecular Formula: | C28 H21 N5 O7 |
| Salt: | not_available |
| Smiles: | COC(c1cccc(CN2C(/C(=C/c3c(c4ccccc4)nn(c4ccc(cc4)[N+]([O-])=O)c3O)NC2=O)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1484 |
| logD: | 1.5744 |
| logSw: | -4.249 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 124.997 |
| InChI Key: | VWWJWOOJOWVWML-UHFFFAOYSA-N |