1-{4-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}-2-(thiophen-3-yl)ethan-1-one
Chemical Structure Depiction of
1-{4-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}-2-(thiophen-3-yl)ethan-1-one
1-{4-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}-2-(thiophen-3-yl)ethan-1-one
Compound characteristics
| Compound ID: | P803-1567 |
| Compound Name: | 1-{4-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}-2-(thiophen-3-yl)ethan-1-one |
| Molecular Weight: | 394.54 |
| Molecular Formula: | C22 H26 N4 O S |
| Smiles: | Cc1ccc(cc1C)c1cc([nH]n1)N1CCCN(CC1)C(Cc1ccsc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5365 |
| logD: | 4.5365 |
| logSw: | -4.2095 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.922 |
| InChI Key: | XUXSKWKHQNHXRA-UHFFFAOYSA-N |