3-(4-methoxyphenyl)-1-{4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}propan-1-one
Chemical Structure Depiction of
3-(4-methoxyphenyl)-1-{4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}propan-1-one
3-(4-methoxyphenyl)-1-{4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}propan-1-one
Compound characteristics
| Compound ID: | P803-1806 |
| Compound Name: | 3-(4-methoxyphenyl)-1-{4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}propan-1-one |
| Molecular Weight: | 434.54 |
| Molecular Formula: | C25 H30 N4 O3 |
| Smiles: | COc1ccc(CCC(N2CCCN(CC2)c2cc(c3ccc(cc3)OC)n[nH]2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.1962 |
| logD: | 4.1962 |
| logSw: | -4.2234 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.992 |
| InChI Key: | GJCCSLYXROAGJR-UHFFFAOYSA-N |