{4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}(3-fluoro-4-methoxyphenyl)methanone
Chemical Structure Depiction of
{4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}(3-fluoro-4-methoxyphenyl)methanone
{4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}(3-fluoro-4-methoxyphenyl)methanone
Compound characteristics
| Compound ID: | P803-1078 |
| Compound Name: | {4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}(3-fluoro-4-methoxyphenyl)methanone |
| Molecular Weight: | 428.89 |
| Molecular Formula: | C22 H22 Cl F N4 O2 |
| Smiles: | COc1ccc(cc1F)C(N1CCCN(CC1)c1cc(c2ccc(cc2)[Cl])n[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2647 |
| logD: | 4.2647 |
| logSw: | -4.5822 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.062 |
| InChI Key: | XMBRSHBHOPOQFP-UHFFFAOYSA-N |