{4-[3-(4-bromophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}(6-methylpyridin-3-yl)methanone
Chemical Structure Depiction of
{4-[3-(4-bromophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}(6-methylpyridin-3-yl)methanone
{4-[3-(4-bromophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}(6-methylpyridin-3-yl)methanone
Compound characteristics
| Compound ID: | P803-1262 |
| Compound Name: | {4-[3-(4-bromophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}(6-methylpyridin-3-yl)methanone |
| Molecular Weight: | 440.34 |
| Molecular Formula: | C21 H22 Br N5 O |
| Smiles: | Cc1ccc(cn1)C(N1CCCN(CC1)c1cc(c2ccc(cc2)[Br])n[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8213 |
| logD: | 3.821 |
| logSw: | -3.6936 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.375 |
| InChI Key: | MLYFUGXUPLKFIB-UHFFFAOYSA-N |