1'-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-4,5,6,7,8,8a-hexahydro-3aH-spiro[cyclohepta[d][1,3]dioxole-2,3'-indol]-2'(1'H)-one
Chemical Structure Depiction of
1'-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-4,5,6,7,8,8a-hexahydro-3aH-spiro[cyclohepta[d][1,3]dioxole-2,3'-indol]-2'(1'H)-one
1'-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-4,5,6,7,8,8a-hexahydro-3aH-spiro[cyclohepta[d][1,3]dioxole-2,3'-indol]-2'(1'H)-one
Compound characteristics
| Compound ID: | 8017-1075 |
| Compound Name: | 1'-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-4,5,6,7,8,8a-hexahydro-3aH-spiro[cyclohepta[d][1,3]dioxole-2,3'-indol]-2'(1'H)-one |
| Molecular Weight: | 404.51 |
| Molecular Formula: | C25 H28 N2 O3 |
| Smiles: | C1CCC2C(CC1)OC1(C(N(CN3CCc4ccccc4C3)c3ccccc13)=O)O2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.2415 |
| logD: | 3.7073 |
| logSw: | -5.2024 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.988 |
| InChI Key: | BVZPIBXMSLWZEV-UHFFFAOYSA-N |