1-[2-fluoro-5-(4-methylpiperazin-1-yl)-4-nitrophenyl]azepane
Chemical Structure Depiction of
1-[2-fluoro-5-(4-methylpiperazin-1-yl)-4-nitrophenyl]azepane
1-[2-fluoro-5-(4-methylpiperazin-1-yl)-4-nitrophenyl]azepane
Compound characteristics
| Compound ID: | 5013-0012 |
| Compound Name: | 1-[2-fluoro-5-(4-methylpiperazin-1-yl)-4-nitrophenyl]azepane |
| Molecular Weight: | 336.41 |
| Molecular Formula: | C17 H25 F N4 O2 |
| Smiles: | CN1CCN(CC1)c1cc(c(cc1[N+]([O-])=O)F)N1CCCCCC1 |
| Stereo: | ACHIRAL |
| logP: | 3.3233 |
| logD: | 2.8635 |
| logSw: | -3.8518 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 43.43 |
| InChI Key: | OXHLKKWMHZCRJW-UHFFFAOYSA-N |