(3-bromophenyl){4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}methanone
Chemical Structure Depiction of
(3-bromophenyl){4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}methanone
(3-bromophenyl){4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}methanone
Compound characteristics
| Compound ID: | P803-1919 |
| Compound Name: | (3-bromophenyl){4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}methanone |
| Molecular Weight: | 455.35 |
| Molecular Formula: | C22 H23 Br N4 O2 |
| Smiles: | COc1ccc(cc1)c1cc([nH]n1)N1CCCN(CC1)C(c1cccc(c1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.3906 |
| logD: | 4.3906 |
| logSw: | -4.2528 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.975 |
| InChI Key: | DDERIINPGLMOSG-UHFFFAOYSA-N |