1-{4-[3-(4-bromophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}-2-(3,4-dimethoxyphenyl)ethan-1-one
Chemical Structure Depiction of
1-{4-[3-(4-bromophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}-2-(3,4-dimethoxyphenyl)ethan-1-one
1-{4-[3-(4-bromophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}-2-(3,4-dimethoxyphenyl)ethan-1-one
Compound characteristics
| Compound ID: | P803-1166 |
| Compound Name: | 1-{4-[3-(4-bromophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}-2-(3,4-dimethoxyphenyl)ethan-1-one |
| Molecular Weight: | 499.41 |
| Molecular Formula: | C24 H27 Br N4 O3 |
| Smiles: | COc1ccc(CC(N2CCCN(CC2)c2cc(c3ccc(cc3)[Br])n[nH]2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.3752 |
| logD: | 4.3752 |
| logSw: | -4.3496 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.165 |
| InChI Key: | ZIFIIMNCXYBIFO-UHFFFAOYSA-N |