N-[4-{[4-(diethylamino)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-(diethylamino)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-(diethylamino)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: | 8009-5515 |
| Compound Name: | N-[4-{[4-(diethylamino)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: | 686.98 |
| Molecular Formula: | C35 H26 Cl3 N5 O4 |
| Smiles: | CCN(CC)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: | 7.2164 |
| logD: | 4.0664 |
| logSw: | -6.3853 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.853 |
| InChI Key: | UPVXWCMHDKQKJH-UHFFFAOYSA-N |