2-nitro-N-{2,2,2-trichloro-1-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]ethyl}benzamide
Chemical Structure Depiction of
2-nitro-N-{2,2,2-trichloro-1-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]ethyl}benzamide
2-nitro-N-{2,2,2-trichloro-1-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]ethyl}benzamide
Compound characteristics
| Compound ID: | 1309-1231 |
| Compound Name: | 2-nitro-N-{2,2,2-trichloro-1-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]ethyl}benzamide |
| Molecular Weight: | 498.75 |
| Molecular Formula: | C20 H18 Cl3 N5 O4 |
| Smiles: | CC1=C(C(N(c2ccccc2)N1C)=O)NC(C([Cl])([Cl])[Cl])NC(c1ccccc1[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7816 |
| logD: | 0.4888 |
| logSw: | -3.764 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.912 |
| InChI Key: | QLQKUXAWZZDVIR-LJQANCHMSA-N |