1-[4-(5-bromo-2-fluoro-4-nitrophenyl)-2-methylpiperazin-1-yl]ethan-1-one
Chemical Structure Depiction of
1-[4-(5-bromo-2-fluoro-4-nitrophenyl)-2-methylpiperazin-1-yl]ethan-1-one
1-[4-(5-bromo-2-fluoro-4-nitrophenyl)-2-methylpiperazin-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | 8016-7772 |
| Compound Name: | 1-[4-(5-bromo-2-fluoro-4-nitrophenyl)-2-methylpiperazin-1-yl]ethan-1-one |
| Molecular Weight: | 360.18 |
| Molecular Formula: | C13 H15 Br F N3 O3 |
| Smiles: | CC1CN(CCN1C(C)=O)c1cc(c(cc1F)[N+]([O-])=O)[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2935 |
| logD: | 2.2935 |
| logSw: | -2.3147 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 52.884 |
| InChI Key: | XTLJWSKNLHQHSF-QMMMGPOBSA-N |