4-[4-(3,3-dimethylbutanamido)phenyl]-3-(2-fluorophenyl)-1-(4-fluorophenyl)-1H-pyrazol-5-yl acetate
Chemical Structure Depiction of
4-[4-(3,3-dimethylbutanamido)phenyl]-3-(2-fluorophenyl)-1-(4-fluorophenyl)-1H-pyrazol-5-yl acetate
4-[4-(3,3-dimethylbutanamido)phenyl]-3-(2-fluorophenyl)-1-(4-fluorophenyl)-1H-pyrazol-5-yl acetate
Compound characteristics
| Compound ID: | V004-7582 |
| Compound Name: | 4-[4-(3,3-dimethylbutanamido)phenyl]-3-(2-fluorophenyl)-1-(4-fluorophenyl)-1H-pyrazol-5-yl acetate |
| Molecular Weight: | 503.55 |
| Molecular Formula: | C29 H27 F2 N3 O3 |
| Smiles: | CC(=O)Oc1c(c2ccc(cc2)NC(CC(C)(C)C)=O)c(c2ccccc2F)nn1c1ccc(cc1)F |
| Stereo: | ACHIRAL |
| logP: | 6.3858 |
| logD: | 6.3858 |
| logSw: | -5.6402 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.723 |
| InChI Key: | PPZBXHQABXEONU-UHFFFAOYSA-N |