4-[(1S,2R,5S)-7-benzyl-3,7-diazabicyclo[3.3.1]nonan-2-yl]-N-methyl-N-[2-(pyridin-2-yl)ethyl]butanamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
4-[(1S,2R,5S)-7-benzyl-3,7-diazabicyclo[3.3.1]nonan-2-yl]-N-methyl-N-[2-(pyridin-2-yl)ethyl]butanamide--hydrogen chloride (1/1)
4-[(1S,2R,5S)-7-benzyl-3,7-diazabicyclo[3.3.1]nonan-2-yl]-N-methyl-N-[2-(pyridin-2-yl)ethyl]butanamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | N113-0075 |
| Compound Name: | 4-[(1S,2R,5S)-7-benzyl-3,7-diazabicyclo[3.3.1]nonan-2-yl]-N-methyl-N-[2-(pyridin-2-yl)ethyl]butanamide--hydrogen chloride (1/1) |
| Molecular Weight: | 457.06 |
| Molecular Formula: | C26 H36 N4 O |
| Salt: | HCl |
| Smiles: | [H][C@@]1(CCCC(N(C)CCc2ccccn2)=O)[C@H]2C[C@@H](CN1)CN(Cc1ccccc1)C2 |
| Stereo: | ABSOLUTE |
| logP: | 2.6237 |
| logD: | 0.5149 |
| logSw: | -2.7209 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.211 |
| InChI Key: | MNLLWIDMTPMPEF-SONWIMMPSA-N |