{4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}[3-(dimethylamino)phenyl]methanone
Chemical Structure Depiction of
{4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}[3-(dimethylamino)phenyl]methanone
{4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}[3-(dimethylamino)phenyl]methanone
Compound characteristics
| Compound ID: | P803-1017 |
| Compound Name: | {4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}[3-(dimethylamino)phenyl]methanone |
| Molecular Weight: | 423.94 |
| Molecular Formula: | C23 H26 Cl N5 O |
| Smiles: | CN(C)c1cccc(c1)C(N1CCCN(CC1)c1cc(c2ccc(cc2)[Cl])n[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4717 |
| logD: | 4.4717 |
| logSw: | -4.6296 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.236 |
| InChI Key: | PIMNAXIEBGAULT-UHFFFAOYSA-N |