{1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl}[4-(pyrrolidine-1-sulfonyl)phenyl]methanone
Chemical Structure Depiction of
{1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl}[4-(pyrrolidine-1-sulfonyl)phenyl]methanone
{1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl}[4-(pyrrolidine-1-sulfonyl)phenyl]methanone
Compound characteristics
| Compound ID: | K407-0254 |
| Compound Name: | {1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl}[4-(pyrrolidine-1-sulfonyl)phenyl]methanone |
| Molecular Weight: | 564.7 |
| Molecular Formula: | C31 H36 N2 O6 S |
| Smiles: | Cc1cc(C)cc(c1)OCC1c2cc(c(cc2CCN1C(c1ccc(cc1)S(N1CCCC1)(=O)=O)=O)OC)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8229 |
| logD: | 4.8229 |
| logSw: | -4.5923 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 70.65 |
| InChI Key: | XZTGHLLSGMLDSX-NDEPHWFRSA-N |