2-(3,4-diethoxyphenyl)-1-{4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}ethan-1-one
Chemical Structure Depiction of
2-(3,4-diethoxyphenyl)-1-{4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}ethan-1-one
2-(3,4-diethoxyphenyl)-1-{4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | P803-1821 |
| Compound Name: | 2-(3,4-diethoxyphenyl)-1-{4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}ethan-1-one |
| Molecular Weight: | 478.59 |
| Molecular Formula: | C27 H34 N4 O4 |
| Smiles: | CCOc1ccc(CC(N2CCCN(CC2)c2cc(c3ccc(cc3)OC)n[nH]2)=O)cc1OCC |
| Stereo: | ACHIRAL |
| logP: | 4.0149 |
| logD: | 4.0149 |
| logSw: | -4.1284 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.868 |
| InChI Key: | BMXJJVMIARWWOB-UHFFFAOYSA-N |