1-{4-[5-(azepan-1-yl)-4-fluoro-2-nitrophenyl]piperazin-1-yl}-2-methylpropan-1-one
Chemical Structure Depiction of
1-{4-[5-(azepan-1-yl)-4-fluoro-2-nitrophenyl]piperazin-1-yl}-2-methylpropan-1-one
1-{4-[5-(azepan-1-yl)-4-fluoro-2-nitrophenyl]piperazin-1-yl}-2-methylpropan-1-one
Compound characteristics
| Compound ID: | 8016-0416 |
| Compound Name: | 1-{4-[5-(azepan-1-yl)-4-fluoro-2-nitrophenyl]piperazin-1-yl}-2-methylpropan-1-one |
| Molecular Weight: | 392.47 |
| Molecular Formula: | C20 H29 F N4 O3 |
| Smiles: | CC(C)C(N1CCN(CC1)c1cc(c(cc1[N+]([O-])=O)F)N1CCCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9477 |
| logD: | 3.9477 |
| logSw: | -4.138 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.681 |
| InChI Key: | JFELPALBMVIYPE-UHFFFAOYSA-N |