7-({6,7-dimethoxy-2-[(4-methoxyphenyl)acetyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}methoxy)-4-methyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
7-({6,7-dimethoxy-2-[(4-methoxyphenyl)acetyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}methoxy)-4-methyl-2H-1-benzopyran-2-one
7-({6,7-dimethoxy-2-[(4-methoxyphenyl)acetyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}methoxy)-4-methyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | C199-0057 |
| Compound Name: | 7-({6,7-dimethoxy-2-[(4-methoxyphenyl)acetyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}methoxy)-4-methyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 529.59 |
| Molecular Formula: | C31 H31 N O7 |
| Smiles: | CC1=CC(=O)Oc2cc(ccc12)OCC1c2cc(c(cc2CCN1C(Cc1ccc(cc1)OC)=O)OC)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1029 |
| logD: | 4.1029 |
| logSw: | -4.3837 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.997 |
| InChI Key: | QLCRUVNKASAIPI-SANMLTNESA-N |