(azepan-1-yl)[3-(4-bromophenyl)-1H-pyrazol-5-yl]methanone
Chemical Structure Depiction of
(azepan-1-yl)[3-(4-bromophenyl)-1H-pyrazol-5-yl]methanone
(azepan-1-yl)[3-(4-bromophenyl)-1H-pyrazol-5-yl]methanone
Compound characteristics
| Compound ID: | E822-0057 |
| Compound Name: | (azepan-1-yl)[3-(4-bromophenyl)-1H-pyrazol-5-yl]methanone |
| Molecular Weight: | 348.24 |
| Molecular Formula: | C16 H18 Br N3 O |
| Smiles: | C1CCCN(CC1)C(c1cc(c2ccc(cc2)[Br])n[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4062 |
| logD: | 4.4056 |
| logSw: | -4.174 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.708 |
| InChI Key: | PAWTWWQAIXMUKL-UHFFFAOYSA-N |