5-(2-chloro-5-nitroanilino)-4-{[4-(dimethylamino)phenyl]methylidene}-2-(2,4,6-trichlorophenyl)-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
5-(2-chloro-5-nitroanilino)-4-{[4-(dimethylamino)phenyl]methylidene}-2-(2,4,6-trichlorophenyl)-2,4-dihydro-3H-pyrazol-3-one
5-(2-chloro-5-nitroanilino)-4-{[4-(dimethylamino)phenyl]methylidene}-2-(2,4,6-trichlorophenyl)-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 8017-1621 |
| Compound Name: | 5-(2-chloro-5-nitroanilino)-4-{[4-(dimethylamino)phenyl]methylidene}-2-(2,4,6-trichlorophenyl)-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 565.24 |
| Molecular Formula: | C24 H17 Cl4 N5 O3 |
| Smiles: | CN(C)c1ccc(\C=C2/C(Nc3cc(ccc3[Cl])[N+]([O-])=O)=NN(C2=O)c2c(cc(cc2[Cl])[Cl])[Cl])cc1 |
| Stereo: | ACHIRAL |
| logP: | 7.0382 |
| logD: | 3.9869 |
| logSw: | -6.6812 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.785 |
| InChI Key: | FTFCLHULLSRDTQ-UHFFFAOYSA-N |