{4-[3-(4-bromophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}(3,4-dimethoxyphenyl)methanone
Chemical Structure Depiction of
{4-[3-(4-bromophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}(3,4-dimethoxyphenyl)methanone
{4-[3-(4-bromophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}(3,4-dimethoxyphenyl)methanone
Compound characteristics
| Compound ID: | P803-1174 |
| Compound Name: | {4-[3-(4-bromophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}(3,4-dimethoxyphenyl)methanone |
| Molecular Weight: | 485.38 |
| Molecular Formula: | C23 H25 Br N4 O3 |
| Smiles: | COc1ccc(cc1OC)C(N1CCCN(CC1)c1cc(c2ccc(cc2)[Br])n[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0175 |
| logD: | 4.0175 |
| logSw: | -4.1599 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.692 |
| InChI Key: | QGWKWFCOHZKXRS-UHFFFAOYSA-N |