1-{4-[3-(4-bromophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}-2-(3-methylphenyl)ethan-1-one
Chemical Structure Depiction of
1-{4-[3-(4-bromophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}-2-(3-methylphenyl)ethan-1-one
1-{4-[3-(4-bromophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}-2-(3-methylphenyl)ethan-1-one
Compound characteristics
| Compound ID: | P803-1270 |
| Compound Name: | 1-{4-[3-(4-bromophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}-2-(3-methylphenyl)ethan-1-one |
| Molecular Weight: | 453.38 |
| Molecular Formula: | C23 H25 Br N4 O |
| Smiles: | Cc1cccc(CC(N2CCCN(CC2)c2cc(c3ccc(cc3)[Br])n[nH]2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.4488 |
| logD: | 5.4488 |
| logSw: | -5.3121 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.904 |
| InChI Key: | MVPBEABEUFNJDK-UHFFFAOYSA-N |