1-{4-[3-(4-bromophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}-2-phenoxyethan-1-one
Chemical Structure Depiction of
1-{4-[3-(4-bromophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}-2-phenoxyethan-1-one
1-{4-[3-(4-bromophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}-2-phenoxyethan-1-one
Compound characteristics
| Compound ID: | P803-1253 |
| Compound Name: | 1-{4-[3-(4-bromophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}-2-phenoxyethan-1-one |
| Molecular Weight: | 455.35 |
| Molecular Formula: | C22 H23 Br N4 O2 |
| Smiles: | C1CN(CCN(C1)c1cc(c2ccc(cc2)[Br])n[nH]1)C(COc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.23 |
| logD: | 4.23 |
| logSw: | -4.2301 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.403 |
| InChI Key: | PDUUCOKCYNONLT-UHFFFAOYSA-N |