1-{4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}-2-(thiophen-2-yl)ethan-1-one
Chemical Structure Depiction of
1-{4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}-2-(thiophen-2-yl)ethan-1-one
1-{4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}-2-(thiophen-2-yl)ethan-1-one
Compound characteristics
| Compound ID: | P803-1796 |
| Compound Name: | 1-{4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}-2-(thiophen-2-yl)ethan-1-one |
| Molecular Weight: | 396.51 |
| Molecular Formula: | C21 H24 N4 O2 S |
| Smiles: | COc1ccc(cc1)c1cc([nH]n1)N1CCCN(CC1)C(Cc1cccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4564 |
| logD: | 3.4564 |
| logSw: | -3.7857 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.466 |
| InChI Key: | YKUSSXQRWFPHTC-UHFFFAOYSA-N |