N-[4-{[4-(diethylamino)phenyl]methylidene}-5-oxo-1-(2,4,6-trichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-3-nitrobenzamide
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-nitrobenzamide
N-[4-{[4-(diethylamino)phenyl]methylidene}-5-oxo-1-(2,4,6-trichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-3-nitrobenzamide
Compound characteristics
| Compound ID: | 8007-3987 |
| Compound Name: | N-[4-{[4-(diethylamino)phenyl]methylidene}-5-oxo-1-(2,4,6-trichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-3-nitrobenzamide |
| Molecular Weight: | 586.86 |
| Molecular Formula: | C27 H22 Cl3 N5 O4 |
| Smiles: | CCN(CC)c1ccc(/C=C2/C(NC(c3cccc(c3)[N+]([O-])=O)=O)=NN(C2=O)c2c(cc(cc2[Cl])[Cl])[Cl])cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.5661 |
| logD: | 2.4591 |
| logSw: | -6.4257 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.593 |
| InChI Key: | DTCVDPNNQPUPCF-UHFFFAOYSA-N |