2-({2-[3-(2,6,6-trimethyloxan-2-yl)prop-2-yn-1-yl]-1,2,3,4-tetrahydroisoquinolin-1-yl}methyl)-1H-isoindole-1,3(2H)-dione--hydrogen chloride (1/1)
Chemical Structure Depiction of
2-({2-[3-(2,6,6-trimethyloxan-2-yl)prop-2-yn-1-yl]-1,2,3,4-tetrahydroisoquinolin-1-yl}methyl)-1H-isoindole-1,3(2H)-dione--hydrogen chloride (1/1)
2-({2-[3-(2,6,6-trimethyloxan-2-yl)prop-2-yn-1-yl]-1,2,3,4-tetrahydroisoquinolin-1-yl}methyl)-1H-isoindole-1,3(2H)-dione--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8018-8082 |
| Compound Name: | 2-({2-[3-(2,6,6-trimethyloxan-2-yl)prop-2-yn-1-yl]-1,2,3,4-tetrahydroisoquinolin-1-yl}methyl)-1H-isoindole-1,3(2H)-dione--hydrogen chloride (1/1) |
| Molecular Weight: | 493.05 |
| Molecular Formula: | C29 H32 N2 O3 |
| Salt: | HCl |
| Smiles: | CC1(C)CCCC(C)(C#CCN2CCc3ccccc3C2CN2C(c3ccccc3C2=O)=O)O1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.2486 |
| logD: | 5.2486 |
| logSw: | -5.0074 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 38.613 |
| InChI Key: | IVXVPTKNSXUVIX-UHFFFAOYSA-N |