N-{2-(2H-1,3-benzodioxol-5-yl)-2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl}-3-nitrobenzamide
Chemical Structure Depiction of
N-{2-(2H-1,3-benzodioxol-5-yl)-2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl}-3-nitrobenzamide
N-{2-(2H-1,3-benzodioxol-5-yl)-2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl}-3-nitrobenzamide
Compound characteristics
| Compound ID: | G856-4276 |
| Compound Name: | N-{2-(2H-1,3-benzodioxol-5-yl)-2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl}-3-nitrobenzamide |
| Molecular Weight: | 492.51 |
| Molecular Formula: | C26 H25 F N4 O5 |
| Smiles: | C(C(c1ccc2c(c1)OCO2)N1CCN(CC1)c1ccccc1F)NC(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2409 |
| logD: | 4.2294 |
| logSw: | -4.381 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.098 |
| InChI Key: | YMLUATBDJWLNAS-QHCPKHFHSA-N |