1-{4-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}-2-(4-fluorophenyl)ethan-1-one
Chemical Structure Depiction of
1-{4-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}-2-(4-fluorophenyl)ethan-1-one
1-{4-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}-2-(4-fluorophenyl)ethan-1-one
Compound characteristics
| Compound ID: | P803-1566 |
| Compound Name: | 1-{4-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}-2-(4-fluorophenyl)ethan-1-one |
| Molecular Weight: | 406.5 |
| Molecular Formula: | C24 H27 F N4 O |
| Smiles: | Cc1ccc(cc1C)c1cc([nH]n1)N1CCCN(CC1)C(Cc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8141 |
| logD: | 4.8141 |
| logSw: | -4.6133 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.904 |
| InChI Key: | WKWCQXHUKCFSHY-UHFFFAOYSA-N |