1-{4-[5-(azepan-1-yl)-4-fluoro-2-nitrophenyl]piperazin-1-yl}-2-phenylethan-1-one
Chemical Structure Depiction of
1-{4-[5-(azepan-1-yl)-4-fluoro-2-nitrophenyl]piperazin-1-yl}-2-phenylethan-1-one
1-{4-[5-(azepan-1-yl)-4-fluoro-2-nitrophenyl]piperazin-1-yl}-2-phenylethan-1-one
Compound characteristics
| Compound ID: | 8016-1031 |
| Compound Name: | 1-{4-[5-(azepan-1-yl)-4-fluoro-2-nitrophenyl]piperazin-1-yl}-2-phenylethan-1-one |
| Molecular Weight: | 440.52 |
| Molecular Formula: | C24 H29 F N4 O3 |
| Smiles: | C1CCCN(CC1)c1cc(c(cc1F)[N+]([O-])=O)N1CCN(CC1)C(Cc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5758 |
| logD: | 4.5758 |
| logSw: | -4.4924 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.882 |
| InChI Key: | AGKQGQYKDSLSDN-UHFFFAOYSA-N |