{4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}(3,4,5-trimethoxyphenyl)methanone
Chemical Structure Depiction of
{4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}(3,4,5-trimethoxyphenyl)methanone
{4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}(3,4,5-trimethoxyphenyl)methanone
Compound characteristics
| Compound ID: | P803-1811 |
| Compound Name: | {4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}(3,4,5-trimethoxyphenyl)methanone |
| Molecular Weight: | 466.54 |
| Molecular Formula: | C25 H30 N4 O5 |
| Smiles: | COc1ccc(cc1)c1cc([nH]n1)N1CCCN(CC1)C(c1cc(c(c(c1)OC)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3409 |
| logD: | 3.3409 |
| logSw: | -3.55 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.953 |
| InChI Key: | FOTSEOGHCFNADY-UHFFFAOYSA-N |