4-[4-(4-chlorobenzamido)phenyl]-1-(2,3-dimethylphenyl)-3-(3-methylphenyl)-1H-pyrazol-5-yl acetate
Chemical Structure Depiction of
4-[4-(4-chlorobenzamido)phenyl]-1-(2,3-dimethylphenyl)-3-(3-methylphenyl)-1H-pyrazol-5-yl acetate
4-[4-(4-chlorobenzamido)phenyl]-1-(2,3-dimethylphenyl)-3-(3-methylphenyl)-1H-pyrazol-5-yl acetate
Compound characteristics
| Compound ID: | V016-4752 |
| Compound Name: | 4-[4-(4-chlorobenzamido)phenyl]-1-(2,3-dimethylphenyl)-3-(3-methylphenyl)-1H-pyrazol-5-yl acetate |
| Molecular Weight: | 550.06 |
| Molecular Formula: | C33 H28 Cl N3 O3 |
| Smiles: | CC(=O)Oc1c(c2ccc(cc2)NC(c2ccc(cc2)[Cl])=O)c(c2cccc(C)c2)nn1c1cccc(C)c1C |
| Stereo: | ACHIRAL |
| logP: | 8.0379 |
| logD: | 8.0375 |
| logSw: | -6.6562 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.364 |
| InChI Key: | GNEINKGLTWSDNE-UHFFFAOYSA-N |