[4-(dimethylamino)phenyl]{4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}methanone
Chemical Structure Depiction of
[4-(dimethylamino)phenyl]{4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}methanone
[4-(dimethylamino)phenyl]{4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}methanone
Compound characteristics
| Compound ID: | P803-1823 |
| Compound Name: | [4-(dimethylamino)phenyl]{4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}methanone |
| Molecular Weight: | 419.53 |
| Molecular Formula: | C24 H29 N5 O2 |
| Smiles: | CN(C)c1ccc(cc1)C(N1CCCN(CC1)c1cc(c2ccc(cc2)OC)n[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7158 |
| logD: | 3.7158 |
| logSw: | -3.9516 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.78 |
| InChI Key: | XLWLFXMSUIVXGU-UHFFFAOYSA-N |