4-{4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1,4-diazepane-1-carbonyl}benzonitrile
Chemical Structure Depiction of
4-{4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1,4-diazepane-1-carbonyl}benzonitrile
4-{4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1,4-diazepane-1-carbonyl}benzonitrile
Compound characteristics
| Compound ID: | P803-1033 |
| Compound Name: | 4-{4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1,4-diazepane-1-carbonyl}benzonitrile |
| Molecular Weight: | 405.89 |
| Molecular Formula: | C22 H20 Cl N5 O |
| Smiles: | C1CN(CCN(C1)c1cc(c2ccc(cc2)[Cl])n[nH]1)C(c1ccc(C#N)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8926 |
| logD: | 3.8926 |
| logSw: | -4.4456 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.488 |
| InChI Key: | SOMZQCOXPCPMGU-UHFFFAOYSA-N |