1-{4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}-2-(2-fluorophenyl)ethan-1-one
Chemical Structure Depiction of
1-{4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}-2-(2-fluorophenyl)ethan-1-one
1-{4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}-2-(2-fluorophenyl)ethan-1-one
Compound characteristics
| Compound ID: | P803-1060 |
| Compound Name: | 1-{4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}-2-(2-fluorophenyl)ethan-1-one |
| Molecular Weight: | 412.89 |
| Molecular Formula: | C22 H22 Cl F N4 O |
| Smiles: | C1CN(CCN(C1)c1cc(c2ccc(cc2)[Cl])n[nH]1)C(Cc1ccccc1F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7512 |
| logD: | 4.7512 |
| logSw: | -5.0658 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.904 |
| InChI Key: | WMSUFXFQZGUAIW-UHFFFAOYSA-N |