methyl 4-({6,7-dimethoxy-2-[4-(pyrrolidine-1-sulfonyl)benzoyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}methoxy)benzoate
Chemical Structure Depiction of
methyl 4-({6,7-dimethoxy-2-[4-(pyrrolidine-1-sulfonyl)benzoyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}methoxy)benzoate
methyl 4-({6,7-dimethoxy-2-[4-(pyrrolidine-1-sulfonyl)benzoyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}methoxy)benzoate
Compound characteristics
| Compound ID: | K407-0076 |
| Compound Name: | methyl 4-({6,7-dimethoxy-2-[4-(pyrrolidine-1-sulfonyl)benzoyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}methoxy)benzoate |
| Molecular Weight: | 594.68 |
| Molecular Formula: | C31 H34 N2 O8 S |
| Smiles: | COC(c1ccc(cc1)OCC1c2cc(c(cc2CCN1C(c1ccc(cc1)S(N1CCCC1)(=O)=O)=O)OC)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0306 |
| logD: | 4.0306 |
| logSw: | -4.1598 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 91.824 |
| InChI Key: | NXSMGSZBGBYRDH-MHZLTWQESA-N |