{4-[3-(4-bromophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}(phenyl)methanone
Chemical Structure Depiction of
{4-[3-(4-bromophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}(phenyl)methanone
{4-[3-(4-bromophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}(phenyl)methanone
Compound characteristics
| Compound ID: | P803-1188 |
| Compound Name: | {4-[3-(4-bromophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}(phenyl)methanone |
| Molecular Weight: | 425.33 |
| Molecular Formula: | C21 H21 Br N4 O |
| Smiles: | C1CN(CCN(C1)c1cc(c2ccc(cc2)[Br])n[nH]1)C(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3723 |
| logD: | 4.3723 |
| logSw: | -4.2942 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.431 |
| InChI Key: | JMIKUAHUHQSLRG-UHFFFAOYSA-N |