4-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]-N-{1-[(3-chlorophenyl)methyl]-1H-pyrazol-4-yl}benzamide
Chemical Structure Depiction of
4-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]-N-{1-[(3-chlorophenyl)methyl]-1H-pyrazol-4-yl}benzamide
4-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]-N-{1-[(3-chlorophenyl)methyl]-1H-pyrazol-4-yl}benzamide
Compound characteristics
| Compound ID: | Y502-9544 |
| Compound Name: | 4-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]-N-{1-[(3-chlorophenyl)methyl]-1H-pyrazol-4-yl}benzamide |
| Molecular Weight: | 471.3 |
| Molecular Formula: | C21 H16 Cl2 N6 O3 |
| Smiles: | C(c1cccc(c1)[Cl])n1cc(cn1)NC(c1ccc(Cn2cc(c(n2)[N+]([O-])=O)[Cl])cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5978 |
| logD: | 3.5907 |
| logSw: | -3.8948 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.432 |
| InChI Key: | JDTDAKQNPLUAGV-UHFFFAOYSA-N |