N-{1-[(2,6-dichlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-3-nitrobenzamide
Chemical Structure Depiction of
N-{1-[(2,6-dichlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-3-nitrobenzamide
N-{1-[(2,6-dichlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-3-nitrobenzamide
Compound characteristics
| Compound ID: | Y205-0459 |
| Compound Name: | N-{1-[(2,6-dichlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-3-nitrobenzamide |
| Molecular Weight: | 419.27 |
| Molecular Formula: | C19 H16 Cl2 N4 O3 |
| Smiles: | Cc1c(c(C)n(Cc2c(cccc2[Cl])[Cl])n1)NC(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6855 |
| logD: | 3.6552 |
| logSw: | -4.0753 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.597 |
| InChI Key: | FYUYONNXKZOEKL-UHFFFAOYSA-N |