{4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}(3,4,5-trimethoxyphenyl)methanone
Chemical Structure Depiction of
{4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}(3,4,5-trimethoxyphenyl)methanone
{4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}(3,4,5-trimethoxyphenyl)methanone
Compound characteristics
| Compound ID: | P803-1006 |
| Compound Name: | {4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}(3,4,5-trimethoxyphenyl)methanone |
| Molecular Weight: | 470.96 |
| Molecular Formula: | C24 H27 Cl N4 O4 |
| Smiles: | COc1cc(cc(c1OC)OC)C(N1CCCN(CC1)c1cc(c2ccc(cc2)[Cl])n[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9532 |
| logD: | 3.9532 |
| logSw: | -4.4231 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.409 |
| InChI Key: | YEILMTBTSYKLCR-UHFFFAOYSA-N |