4-[4-(2-chlorobenzamido)phenyl]-1-(2,5-dimethylphenyl)-3-(3-methylphenyl)-1H-pyrazol-5-yl acetate
Chemical Structure Depiction of
4-[4-(2-chlorobenzamido)phenyl]-1-(2,5-dimethylphenyl)-3-(3-methylphenyl)-1H-pyrazol-5-yl acetate
4-[4-(2-chlorobenzamido)phenyl]-1-(2,5-dimethylphenyl)-3-(3-methylphenyl)-1H-pyrazol-5-yl acetate
Compound characteristics
| Compound ID: | V021-0829 |
| Compound Name: | 4-[4-(2-chlorobenzamido)phenyl]-1-(2,5-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(c2ccccc2[Cl])=O)c(c2cccc(C)c2)nn1c1cc(C)ccc1C |
| Stereo: | ACHIRAL |
| logP: | 7.9622 |
| logD: | 7.9618 |
| logSw: | -6.4901 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.364 |
| InChI Key: | IXANOYCSMPQMMN-UHFFFAOYSA-N |