3-(3,4-dimethoxyphenyl)-4-[4-(3,3-dimethylbutanamido)phenyl]-1-(3-fluorophenyl)-1H-pyrazol-5-yl acetate
Chemical Structure Depiction of
3-(3,4-dimethoxyphenyl)-4-[4-(3,3-dimethylbutanamido)phenyl]-1-(3-fluorophenyl)-1H-pyrazol-5-yl acetate
3-(3,4-dimethoxyphenyl)-4-[4-(3,3-dimethylbutanamido)phenyl]-1-(3-fluorophenyl)-1H-pyrazol-5-yl acetate
Compound characteristics
| Compound ID: | V018-1467 |
| Compound Name: | 3-(3,4-dimethoxyphenyl)-4-[4-(3,3-dimethylbutanamido)phenyl]-1-(3-fluorophenyl)-1H-pyrazol-5-yl acetate |
| Molecular Weight: | 545.61 |
| Molecular Formula: | C31 H32 F N3 O5 |
| Smiles: | CC(=O)Oc1c(c2ccc(cc2)NC(CC(C)(C)C)=O)c(c2ccc(c(c2)OC)OC)nn1c1cccc(c1)F |
| Stereo: | ACHIRAL |
| logP: | 6.104 |
| logD: | 6.104 |
| logSw: | -5.5506 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.984 |
| InChI Key: | QITGRYLRYLQGKF-UHFFFAOYSA-N |