(2,3-dimethoxyphenyl){4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}methanone
Chemical Structure Depiction of
(2,3-dimethoxyphenyl){4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}methanone
(2,3-dimethoxyphenyl){4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}methanone
Compound characteristics
| Compound ID: | P803-1402 |
| Compound Name: | (2,3-dimethoxyphenyl){4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}methanone |
| Molecular Weight: | 424.47 |
| Molecular Formula: | C23 H25 F N4 O3 |
| Smiles: | COc1cccc(C(N2CCCN(CC2)c2cc(c3ccc(cc3)F)n[nH]2)=O)c1OC |
| Stereo: | ACHIRAL |
| logP: | 3.6598 |
| logD: | 3.6598 |
| logSw: | -3.8669 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.779 |
| InChI Key: | BJZDDSIQKOHCGA-UHFFFAOYSA-N |