{4-[3-(4-bromophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}(3,4-diethoxyphenyl)methanone
Chemical Structure Depiction of
{4-[3-(4-bromophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}(3,4-diethoxyphenyl)methanone
{4-[3-(4-bromophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}(3,4-diethoxyphenyl)methanone
Compound characteristics
| Compound ID: | P803-1171 |
| Compound Name: | {4-[3-(4-bromophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}(3,4-diethoxyphenyl)methanone |
| Molecular Weight: | 513.43 |
| Molecular Formula: | C25 H29 Br N4 O3 |
| Smiles: | CCOc1ccc(cc1OCC)C(N1CCCN(CC1)c1cc(c2ccc(cc2)[Br])n[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5087 |
| logD: | 4.5087 |
| logSw: | -4.2099 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.852 |
| InChI Key: | YLFZEWAJJMOREK-UHFFFAOYSA-N |