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
3-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-1,4,5,6,7,7a-hexahydro-2H-indol-2-one
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: | S579-0039 |
| Compound Name: | 3-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-1,4,5,6,7,7a-hexahydro-2H-indol-2-one |
| Molecular Weight: | 310.39 |
| Molecular Formula: | C19 H22 N2 O2 |
| Smiles: | C1CCC2C(C1)NC(C=2CC(N1CCc2ccccc2C1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4104 |
| logD: | 2.4104 |
| logSw: | -2.6242 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.067 |
| InChI Key: | CCQNDFZNWKNPBP-QGZVFWFLSA-N |