N~1~-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-[1-(4-benzylpiperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl]ethanediamide
Chemical Structure Depiction of
N~1~-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-[1-(4-benzylpiperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl]ethanediamide
N~1~-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-[1-(4-benzylpiperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl]ethanediamide
Compound characteristics
| Compound ID: | C609-0237 |
| Compound Name: | N~1~-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-[1-(4-benzylpiperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl]ethanediamide |
| Molecular Weight: | 520.65 |
| Molecular Formula: | C28 H32 N4 O4 S |
| Smiles: | CC(C(c1cccs1)N1CCN(CC1)Cc1ccccc1)NC(C(NCc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.1383 |
| logD: | 3.0439 |
| logSw: | -3.4062 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.199 |
| InChI Key: | PXNZWAOFDMXIKA-UHFFFAOYSA-N |