1-{4-[5-(azepan-1-yl)-4-fluoro-2-nitrophenyl]piperazin-1-yl}propan-1-one
Chemical Structure Depiction of
1-{4-[5-(azepan-1-yl)-4-fluoro-2-nitrophenyl]piperazin-1-yl}propan-1-one
1-{4-[5-(azepan-1-yl)-4-fluoro-2-nitrophenyl]piperazin-1-yl}propan-1-one
Compound characteristics
| Compound ID: | 8012-8075 |
| Compound Name: | 1-{4-[5-(azepan-1-yl)-4-fluoro-2-nitrophenyl]piperazin-1-yl}propan-1-one |
| Molecular Weight: | 378.45 |
| Molecular Formula: | C19 H27 F N4 O3 |
| Smiles: | CCC(N1CCN(CC1)c1cc(c(cc1[N+]([O-])=O)F)N1CCCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5085 |
| logD: | 3.5085 |
| logSw: | -3.9772 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.153 |
| InChI Key: | XKULUZRVUPFECN-UHFFFAOYSA-N |