sodium--{6,7-dimethoxy-2-[2-oxo-2-(2,3,5,6-tetrafluoroanilino)ethyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}acetate (1/1)
Chemical Structure Depiction of
sodium--{6,7-dimethoxy-2-[2-oxo-2-(2,3,5,6-tetrafluoroanilino)ethyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}acetate (1/1)
sodium--{6,7-dimethoxy-2-[2-oxo-2-(2,3,5,6-tetrafluoroanilino)ethyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}acetate (1/1)
Compound characteristics
| Compound ID: | G536-0300 |
| Compound Name: | sodium--{6,7-dimethoxy-2-[2-oxo-2-(2,3,5,6-tetrafluoroanilino)ethyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}acetate (1/1) |
| Molecular Weight: | 478.37 |
| Molecular Formula: | C21 H19 F4 N2 O5 |
| Salt: | Na+ |
| Smiles: | COc1cc2CCN(CC(Nc3c(c(cc(c3F)F)F)F)=O)C(CC([O-])=O)c2cc1OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6944 |
| logD: | -3.2371 |
| logSw: | -2.2506 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.733 |
| InChI Key: | SEQLINBZBYOZQX-AWEZNQCLSA-M |