1-{4-[3-(4-bromophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}-2-(4-chloro-2-methylphenoxy)ethan-1-one
Chemical Structure Depiction of
1-{4-[3-(4-bromophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}-2-(4-chloro-2-methylphenoxy)ethan-1-one
1-{4-[3-(4-bromophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}-2-(4-chloro-2-methylphenoxy)ethan-1-one
Compound characteristics
| Compound ID: | P803-1290 |
| Compound Name: | 1-{4-[3-(4-bromophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}-2-(4-chloro-2-methylphenoxy)ethan-1-one |
| Molecular Weight: | 503.83 |
| Molecular Formula: | C23 H24 Br Cl N4 O2 |
| Smiles: | Cc1cc(ccc1OCC(N1CCCN(CC1)c1cc(c2ccc(cc2)[Br])n[nH]1)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.7612 |
| logD: | 5.7612 |
| logSw: | -5.9335 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.49 |
| InChI Key: | RPZCHDZOSGWIIE-UHFFFAOYSA-N |