{4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}(2-fluorophenyl)methanone
Chemical Structure Depiction of
{4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}(2-fluorophenyl)methanone
{4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}(2-fluorophenyl)methanone
Compound characteristics
| Compound ID: | P803-0990 |
| Compound Name: | {4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}(2-fluorophenyl)methanone |
| Molecular Weight: | 398.87 |
| Molecular Formula: | C21 H20 Cl F N4 O |
| Smiles: | C1CN(CCN(C1)c1cc(c2ccc(cc2)[Cl])n[nH]1)C(c1ccccc1F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3737 |
| logD: | 4.3737 |
| logSw: | -4.624 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.431 |
| InChI Key: | YDGUAEMLLQUKTH-UHFFFAOYSA-N |