N-{1-[(3,4-dichlorophenyl)methyl]-1H-pyrazol-4-yl}-3-methyl-4-nitrobenzamide
Chemical Structure Depiction of
N-{1-[(3,4-dichlorophenyl)methyl]-1H-pyrazol-4-yl}-3-methyl-4-nitrobenzamide
N-{1-[(3,4-dichlorophenyl)methyl]-1H-pyrazol-4-yl}-3-methyl-4-nitrobenzamide
Compound characteristics
| Compound ID: | Y509-0344 |
| Compound Name: | N-{1-[(3,4-dichlorophenyl)methyl]-1H-pyrazol-4-yl}-3-methyl-4-nitrobenzamide |
| Molecular Weight: | 405.24 |
| Molecular Formula: | C18 H14 Cl2 N4 O3 |
| Smiles: | Cc1cc(ccc1[N+]([O-])=O)C(Nc1cnn(Cc2ccc(c(c2)[Cl])[Cl])c1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.495 |
| logD: | 4.4669 |
| logSw: | -4.5546 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.916 |
| InChI Key: | PKUUECNZECXSEO-UHFFFAOYSA-N |