N-{4-chloro-1-[(4-fluorophenyl)methyl]-1H-pyrazol-3-yl}-4-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]benzamide
Chemical Structure Depiction of
N-{4-chloro-1-[(4-fluorophenyl)methyl]-1H-pyrazol-3-yl}-4-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]benzamide
N-{4-chloro-1-[(4-fluorophenyl)methyl]-1H-pyrazol-3-yl}-4-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]benzamide
Compound characteristics
| Compound ID: | Y502-9862 |
| Compound Name: | N-{4-chloro-1-[(4-fluorophenyl)methyl]-1H-pyrazol-3-yl}-4-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]benzamide |
| Molecular Weight: | 489.29 |
| Molecular Formula: | C21 H15 Cl2 F N6 O3 |
| Smiles: | C(c1ccc(cc1)F)n1cc(c(NC(c2ccc(Cn3cc(c(n3)[N+]([O-])=O)[Cl])cc2)=O)n1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.6923 |
| logD: | 2.857 |
| logSw: | -4.2373 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.847 |
| InChI Key: | AUKWZTGDYDNPEU-UHFFFAOYSA-N |