N-[3-(azepan-1-yl)-1-(4-bromophenyl)-3-oxoprop-1-en-2-yl]-2-fluorobenzamide
Chemical Structure Depiction of
N-[3-(azepan-1-yl)-1-(4-bromophenyl)-3-oxoprop-1-en-2-yl]-2-fluorobenzamide
N-[3-(azepan-1-yl)-1-(4-bromophenyl)-3-oxoprop-1-en-2-yl]-2-fluorobenzamide
Compound characteristics
| Compound ID: | 3448-0823 |
| Compound Name: | N-[3-(azepan-1-yl)-1-(4-bromophenyl)-3-oxoprop-1-en-2-yl]-2-fluorobenzamide |
| Molecular Weight: | 445.33 |
| Molecular Formula: | C22 H22 Br F N2 O2 |
| Smiles: | C1CCCN(CC1)C(/C(=C\c1ccc(cc1)[Br])NC(c1ccccc1F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.939 |
| logD: | 2.4769 |
| logSw: | -4.7005 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.142 |
| InChI Key: | JSNOBFPYWUKOSM-UHFFFAOYSA-N |