1-{4-[4-fluoro-2-nitro-5-(pyrrolidin-1-yl)phenyl]piperazin-1-yl}butan-1-one
Chemical Structure Depiction of
1-{4-[4-fluoro-2-nitro-5-(pyrrolidin-1-yl)phenyl]piperazin-1-yl}butan-1-one
1-{4-[4-fluoro-2-nitro-5-(pyrrolidin-1-yl)phenyl]piperazin-1-yl}butan-1-one
Compound characteristics
| Compound ID: | 8011-7216 |
| Compound Name: | 1-{4-[4-fluoro-2-nitro-5-(pyrrolidin-1-yl)phenyl]piperazin-1-yl}butan-1-one |
| Molecular Weight: | 364.42 |
| Molecular Formula: | C18 H25 F N4 O3 |
| Smiles: | CCCC(N1CCN(CC1)c1cc(c(cc1[N+]([O-])=O)F)N1CCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1574 |
| logD: | 3.1574 |
| logSw: | -3.5064 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.188 |
| InChI Key: | SZCMJOCTBQJMDW-UHFFFAOYSA-N |