2-[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline--hydrogen chloride (1/1)
Chemical Structure Depiction of
2-[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline--hydrogen chloride (1/1)
2-[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8017-3695 |
| Compound Name: | 2-[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline--hydrogen chloride (1/1) |
| Molecular Weight: | 382.68 |
| Molecular Formula: | C17 H16 Br N O2 |
| Salt: | HCl |
| Smiles: | C1CN(Cc2ccccc12)Cc1cc2c(cc1[Br])OCO2 |
| Stereo: | ACHIRAL |
| logP: | 4.2589 |
| logD: | 3.3188 |
| logSw: | -4.2582 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 20.7483 |
| InChI Key: | JFIGFXACRXMEMM-UHFFFAOYSA-N |