{4-[3-(4-bromophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}(2,4-dimethoxyphenyl)methanone
Chemical Structure Depiction of
{4-[3-(4-bromophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}(2,4-dimethoxyphenyl)methanone
{4-[3-(4-bromophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}(2,4-dimethoxyphenyl)methanone
Compound characteristics
| Compound ID: | P803-1173 |
| Compound Name: | {4-[3-(4-bromophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}(2,4-dimethoxyphenyl)methanone |
| Molecular Weight: | 485.38 |
| Molecular Formula: | C23 H25 Br N4 O3 |
| Smiles: | COc1ccc(C(N2CCCN(CC2)c2cc(c3ccc(cc3)[Br])n[nH]2)=O)c(c1)OC |
| Stereo: | ACHIRAL |
| logP: | 4.5597 |
| logD: | 4.5597 |
| logSw: | -4.2972 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.605 |
| InChI Key: | JQTBYZVDNHKHKN-UHFFFAOYSA-N |