N-{3-[(4-chloro-1H-pyrazol-1-yl)methyl]phenyl}-3-methyl-4-nitrobenzamide
Chemical Structure Depiction of
N-{3-[(4-chloro-1H-pyrazol-1-yl)methyl]phenyl}-3-methyl-4-nitrobenzamide
N-{3-[(4-chloro-1H-pyrazol-1-yl)methyl]phenyl}-3-methyl-4-nitrobenzamide
Compound characteristics
| Compound ID: | Y205-3917 |
| Compound Name: | N-{3-[(4-chloro-1H-pyrazol-1-yl)methyl]phenyl}-3-methyl-4-nitrobenzamide |
| Molecular Weight: | 370.79 |
| Molecular Formula: | C18 H15 Cl N4 O3 |
| Smiles: | Cc1cc(ccc1[N+]([O-])=O)C(Nc1cccc(Cn2cc(cn2)[Cl])c1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6406 |
| logD: | 3.6405 |
| logSw: | -4.0273 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.916 |
| InChI Key: | YFPGSFZFUSLVCW-UHFFFAOYSA-N |