2-(4-bromophenyl)-1-{4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}ethan-1-one
Chemical Structure Depiction of
2-(4-bromophenyl)-1-{4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}ethan-1-one
2-(4-bromophenyl)-1-{4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | P803-1447 |
| Compound Name: | 2-(4-bromophenyl)-1-{4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}ethan-1-one |
| Molecular Weight: | 457.34 |
| Molecular Formula: | C22 H22 Br F N4 O |
| Smiles: | C1CN(CCN(C1)c1cc(c2ccc(cc2)F)n[nH]1)C(Cc1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.7857 |
| logD: | 4.7857 |
| logSw: | -4.8908 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.904 |
| InChI Key: | KAMOOILUTDHVAP-UHFFFAOYSA-N |