[4-(dimethylamino)phenyl]{4-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}methanone
Chemical Structure Depiction of
[4-(dimethylamino)phenyl]{4-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}methanone
[4-(dimethylamino)phenyl]{4-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}methanone
Compound characteristics
| Compound ID: | P803-1501 |
| Compound Name: | [4-(dimethylamino)phenyl]{4-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}methanone |
| Molecular Weight: | 417.55 |
| Molecular Formula: | C25 H31 N5 O |
| Smiles: | Cc1ccc(cc1C)c1cc([nH]n1)N1CCCN(CC1)C(c1ccc(cc1)N(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5957 |
| logD: | 4.5957 |
| logSw: | -4.2851 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.236 |
| InChI Key: | WLEHXNLFNDZXMN-UHFFFAOYSA-N |