4-[(1S,2R,5S)-7-benzyl-3,7-diazabicyclo[3.3.1]nonan-2-yl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]butanamide--hydrogen chloride (1/4)
Chemical Structure Depiction of
4-[(1S,2R,5S)-7-benzyl-3,7-diazabicyclo[3.3.1]nonan-2-yl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]butanamide--hydrogen chloride (1/4)
4-[(1S,2R,5S)-7-benzyl-3,7-diazabicyclo[3.3.1]nonan-2-yl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]butanamide--hydrogen chloride (1/4)
Compound characteristics
| Compound ID: | N113-0244 |
| Compound Name: | 4-[(1S,2R,5S)-7-benzyl-3,7-diazabicyclo[3.3.1]nonan-2-yl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]butanamide--hydrogen chloride (1/4) |
| Molecular Weight: | 587.5 |
| Molecular Formula: | C26 H43 N5 O |
| Salt: | 4HCl |
| Smiles: | [H][C@@]1(CCCC(NCCN2CCN(CC)CC2)=O)[C@H]2C[C@@H](CN1)CN(Cc1ccccc1)C2 |
| Stereo: | ABSOLUTE |
| logP: | 1.2 |
| logD: | -0.9089 |
| logSw: | -2.072 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 47.63 |
| InChI Key: | XRKZJARTRGLLLI-CCDWMCETSA-N |