7-({2-[(benzylsulfanyl)acetyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}methoxy)-4-methyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
7-({2-[(benzylsulfanyl)acetyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}methoxy)-4-methyl-2H-1-benzopyran-2-one
7-({2-[(benzylsulfanyl)acetyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}methoxy)-4-methyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | C199-0019 |
| Compound Name: | 7-({2-[(benzylsulfanyl)acetyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}methoxy)-4-methyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 545.65 |
| Molecular Formula: | C31 H31 N O6 S |
| Smiles: | CC1=CC(=O)Oc2cc(ccc12)OCC1c2cc(c(cc2CCN1C(CSCc1ccccc1)=O)OC)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6003 |
| logD: | 4.6003 |
| logSw: | -4.5398 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 58.453 |
| InChI Key: | NOPZDLLPECWMER-SANMLTNESA-N |