2-(3,4-dimethoxyphenyl)-1-{4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}ethan-1-one
Chemical Structure Depiction of
2-(3,4-dimethoxyphenyl)-1-{4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}ethan-1-one
2-(3,4-dimethoxyphenyl)-1-{4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | P803-1327 |
| Compound Name: | 2-(3,4-dimethoxyphenyl)-1-{4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}ethan-1-one |
| Molecular Weight: | 438.5 |
| Molecular Formula: | C24 H27 F N4 O3 |
| Smiles: | COc1ccc(CC(N2CCCN(CC2)c2cc(c3ccc(cc3)F)n[nH]2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.5704 |
| logD: | 3.5704 |
| logSw: | -3.7078 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.165 |
| InChI Key: | OJTBCRSGKUSZPT-UHFFFAOYSA-N |