N-{4-[(3,4-dimethoxyphenyl)methylidene]-5-oxo-1-(2,4,6-trichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl}-3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzamide
Chemical Structure Depiction of
N-{4-[(3,4-dimethoxyphenyl)methylidene]-5-oxo-1-(2,4,6-trichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl}-3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzamide
N-{4-[(3,4-dimethoxyphenyl)methylidene]-5-oxo-1-(2,4,6-trichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl}-3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzamide
Compound characteristics
| Compound ID: | 8009-6143 |
| Compound Name: | N-{4-[(3,4-dimethoxyphenyl)methylidene]-5-oxo-1-(2,4,6-trichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl}-3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzamide |
| Molecular Weight: | 675.91 |
| Molecular Formula: | C33 H21 Cl3 N4 O6 |
| Smiles: | COc1ccc(/C=C2/C(NC(c3cccc(c3)N3C(c4ccccc4C3=O)=O)=O)=NN(C2=O)c2c(cc(cc2[Cl])[Cl])[Cl])cc1OC |
| Stereo: | ACHIRAL |
| logP: | 6.0044 |
| logD: | 2.8545 |
| logSw: | -6.0648 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.377 |
| InChI Key: | NXRIQRHONINHPK-UHFFFAOYSA-N |