3-(3,4-dimethoxyphenyl)-4-[4-(3-methylbutanamido)phenyl]-1-(4-methylphenyl)-1H-pyrazol-5-yl acetate
Chemical Structure Depiction of
3-(3,4-dimethoxyphenyl)-4-[4-(3-methylbutanamido)phenyl]-1-(4-methylphenyl)-1H-pyrazol-5-yl acetate
3-(3,4-dimethoxyphenyl)-4-[4-(3-methylbutanamido)phenyl]-1-(4-methylphenyl)-1H-pyrazol-5-yl acetate
Compound characteristics
| Compound ID: | V022-1861 |
| Compound Name: | 3-(3,4-dimethoxyphenyl)-4-[4-(3-methylbutanamido)phenyl]-1-(4-methylphenyl)-1H-pyrazol-5-yl acetate |
| Molecular Weight: | 527.62 |
| Molecular Formula: | C31 H33 N3 O5 |
| Smiles: | CC(C)CC(Nc1ccc(cc1)c1c(c2ccc(c(c2)OC)OC)nn(c2ccc(C)cc2)c1OC(C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0231 |
| logD: | 6.0231 |
| logSw: | -5.5158 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.984 |
| InChI Key: | GMPGUNYEYQNHJA-UHFFFAOYSA-N |