1-(azepan-1-yl)-2-[1-(4-methylpiperidine-1-carbonyl)-3,4-dihydroisoquinolin-2(1H)-yl]ethan-1-one
Chemical Structure Depiction of
1-(azepan-1-yl)-2-[1-(4-methylpiperidine-1-carbonyl)-3,4-dihydroisoquinolin-2(1H)-yl]ethan-1-one
1-(azepan-1-yl)-2-[1-(4-methylpiperidine-1-carbonyl)-3,4-dihydroisoquinolin-2(1H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | P099-0731 |
| Compound Name: | 1-(azepan-1-yl)-2-[1-(4-methylpiperidine-1-carbonyl)-3,4-dihydroisoquinolin-2(1H)-yl]ethan-1-one |
| Molecular Weight: | 397.56 |
| Molecular Formula: | C24 H35 N3 O2 |
| Smiles: | CC1CCN(CC1)C(C1c2ccccc2CCN1CC(N1CCCCCC1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3016 |
| logD: | 3.2991 |
| logSw: | -3.5061 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.755 |
| InChI Key: | LAUJUDQRSXPWSM-HSZRJFAPSA-N |