{1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl}[4-(pyrrolidine-1-sulfonyl)phenyl]methanone
Chemical Structure Depiction of
{1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl}[4-(pyrrolidine-1-sulfonyl)phenyl]methanone
{1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl}[4-(pyrrolidine-1-sulfonyl)phenyl]methanone
Compound characteristics
| Compound ID: | K407-0104 |
| Compound Name: | {1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl}[4-(pyrrolidine-1-sulfonyl)phenyl]methanone |
| Molecular Weight: | 554.64 |
| Molecular Formula: | C29 H31 F N2 O6 S |
| Smiles: | COc1cc2CCN(C(COc3ccc(cc3)F)c2cc1OC)C(c1ccc(cc1)S(N1CCCC1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9689 |
| logD: | 3.9689 |
| logSw: | -4.0856 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 70.65 |
| InChI Key: | YSAGJEYBYODZGD-SANMLTNESA-N |