N-[2-(2H-1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]-3-nitrobenzamide
Chemical Structure Depiction of
N-[2-(2H-1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]-3-nitrobenzamide
N-[2-(2H-1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]-3-nitrobenzamide
Compound characteristics
| Compound ID: | G856-4165 |
| Compound Name: | N-[2-(2H-1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]-3-nitrobenzamide |
| Molecular Weight: | 412.44 |
| Molecular Formula: | C21 H24 N4 O5 |
| Smiles: | CN1CCN(CC1)C(CNC(c1cccc(c1)[N+]([O-])=O)=O)c1ccc2c(c1)OCO2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2451 |
| logD: | 1.8719 |
| logSw: | -2.992 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.615 |
| InChI Key: | ATNQPLWMPJIGRO-SFHVURJKSA-N |