2-(2-bromophenyl)-1-{4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}ethan-1-one
Chemical Structure Depiction of
2-(2-bromophenyl)-1-{4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}ethan-1-one
2-(2-bromophenyl)-1-{4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | P803-1804 |
| Compound Name: | 2-(2-bromophenyl)-1-{4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}ethan-1-one |
| Molecular Weight: | 469.38 |
| Molecular Formula: | C23 H25 Br N4 O2 |
| Smiles: | COc1ccc(cc1)c1cc([nH]n1)N1CCCN(CC1)C(Cc1ccccc1[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.6461 |
| logD: | 4.6461 |
| logSw: | -4.4032 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.448 |
| InChI Key: | JAQPYJYFHZQAST-UHFFFAOYSA-N |