1-benzyl-3-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-1,4,5,6,7,7a-hexahydro-2H-indol-2-one
Chemical Structure Depiction of
1-benzyl-3-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-1,4,5,6,7,7a-hexahydro-2H-indol-2-one
1-benzyl-3-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-1,4,5,6,7,7a-hexahydro-2H-indol-2-one
Compound characteristics
| Compound ID: | S579-0573 |
| Compound Name: | 1-benzyl-3-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-1,4,5,6,7,7a-hexahydro-2H-indol-2-one |
| Molecular Weight: | 400.52 |
| Molecular Formula: | C26 H28 N2 O2 |
| Smiles: | C1CCC2C(C1)N(Cc1ccccc1)C(C=2CC(N1CCc2ccccc2C1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1549 |
| logD: | 4.1549 |
| logSw: | -4.1835 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 32.035 |
| InChI Key: | MXBXMOHIBZGTJS-XMMPIXPASA-N |