N~1~-[2-(2H-1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]-N~2~-(2-cyanophenyl)ethanediamide
Chemical Structure Depiction of
N~1~-[2-(2H-1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]-N~2~-(2-cyanophenyl)ethanediamide
N~1~-[2-(2H-1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]-N~2~-(2-cyanophenyl)ethanediamide
Compound characteristics
| Compound ID: | G856-4168 |
| Compound Name: | N~1~-[2-(2H-1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]-N~2~-(2-cyanophenyl)ethanediamide |
| Molecular Weight: | 435.48 |
| Molecular Formula: | C23 H25 N5 O4 |
| Smiles: | CN1CCN(CC1)C(CNC(C(Nc1ccccc1C#N)=O)=O)c1ccc2c(c1)OCO2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.4126 |
| logD: | 1.4126 |
| logSw: | -2.4181 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.954 |
| InChI Key: | YCSDCSJVZDFYBV-IBGZPJMESA-N |