1-(1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)-2-(pentylamino)ethan-1-one
Chemical Structure Depiction of
1-(1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)-2-(pentylamino)ethan-1-one
1-(1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)-2-(pentylamino)ethan-1-one
Compound characteristics
| Compound ID: | V031-2705 |
| Compound Name: | 1-(1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)-2-(pentylamino)ethan-1-one |
| Molecular Weight: | 274.4 |
| Molecular Formula: | C17 H26 N2 O |
| Salt: | not_available |
| Smiles: | CCCCCNCC(N1CCc2ccccc2C1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9186 |
| logD: | 2.7735 |
| logSw: | -3.0707 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 27.3468 |
| InChI Key: | YJIRNIXNEQDSMK-AWEZNQCLSA-N |