N-[4-{[4-(dimethylamino)phenyl]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-{[4-(dimethylamino)phenyl]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-{[4-(dimethylamino)phenyl]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: | 8009-5516 |
| Compound Name: | N-[4-{[4-(dimethylamino)phenyl]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: | 658.93 |
| Molecular Formula: | C33 H22 Cl3 N5 O4 |
| Smiles: | CN(C)c1ccc(/C=C2/C(NC(c3cccc(c3)N3C(c4ccccc4C3=O)=O)=O)=NN(C2=O)c2c(cc(cc2[Cl])[Cl])[Cl])cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.4959 |
| logD: | 3.346 |
| logSw: | -6.2329 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.921 |
| InChI Key: | UEVSDPZKYTWZQP-UHFFFAOYSA-N |