2-(4-ethoxyphenyl)-1-{4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}ethan-1-one
Chemical Structure Depiction of
2-(4-ethoxyphenyl)-1-{4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}ethan-1-one
2-(4-ethoxyphenyl)-1-{4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | P803-1430 |
| Compound Name: | 2-(4-ethoxyphenyl)-1-{4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}ethan-1-one |
| Molecular Weight: | 422.5 |
| Molecular Formula: | C24 H27 F N4 O2 |
| Smiles: | CCOc1ccc(CC(N2CCCN(CC2)c2cc(c3ccc(cc3)F)n[nH]2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.3208 |
| logD: | 4.3208 |
| logSw: | -4.127 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.028 |
| InChI Key: | CHNAIDSPOQECIQ-UHFFFAOYSA-N |