bis(2-hydroxy-3-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}propyl) 1,2,2-trimethylcyclopentane-1,3-dicarboxylate--hydrogen chloride (1/4)
Chemical Structure Depiction of
bis(2-hydroxy-3-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}propyl) 1,2,2-trimethylcyclopentane-1,3-dicarboxylate--hydrogen chloride (1/4)
bis(2-hydroxy-3-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}propyl) 1,2,2-trimethylcyclopentane-1,3-dicarboxylate--hydrogen chloride (1/4)
Compound characteristics
| Compound ID: | 0884-0014 |
| Compound Name: | bis(2-hydroxy-3-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}propyl) 1,2,2-trimethylcyclopentane-1,3-dicarboxylate--hydrogen chloride (1/4) |
| Molecular Weight: | 862.81 |
| Molecular Formula: | C42 H60 N4 O6 |
| Salt: | 4HCl |
| Smiles: | CC1(C)C(CCC1(C)C(=O)OCC(CN1CCN(CC1)C/C=C/c1ccccc1)O)C(=O)OCC(CN1CCN(CC1)C/C=C/c1ccccc1)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.0543 |
| logD: | 4.4764 |
| logSw: | -4.5018 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.797 |
| InChI Key: | IQISTGJVJKTXQY-OTYYAQKOSA-N |