1-[4-(3-methylphenyl)piperazin-1-yl]-2-[1-(pyrrolidine-1-carbonyl)-3,4-dihydroisoquinolin-2(1H)-yl]ethan-1-one
Chemical Structure Depiction of
1-[4-(3-methylphenyl)piperazin-1-yl]-2-[1-(pyrrolidine-1-carbonyl)-3,4-dihydroisoquinolin-2(1H)-yl]ethan-1-one
1-[4-(3-methylphenyl)piperazin-1-yl]-2-[1-(pyrrolidine-1-carbonyl)-3,4-dihydroisoquinolin-2(1H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | P099-0380 |
| Compound Name: | 1-[4-(3-methylphenyl)piperazin-1-yl]-2-[1-(pyrrolidine-1-carbonyl)-3,4-dihydroisoquinolin-2(1H)-yl]ethan-1-one |
| Molecular Weight: | 446.59 |
| Molecular Formula: | C27 H34 N4 O2 |
| Smiles: | Cc1cccc(c1)N1CCN(CC1)C(CN1CCc2ccccc2C1C(N1CCCC1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3379 |
| logD: | 3.3375 |
| logSw: | -3.4071 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.05 |
| InChI Key: | LNZQRCFLSCZGPP-AREMUKBSSA-N |