7-({2-[(4-ethoxyphenyl)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-[(4-ethoxyphenyl)acetyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}methoxy)-4-methyl-2H-1-benzopyran-2-one
7-({2-[(4-ethoxyphenyl)acetyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}methoxy)-4-methyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | C199-0030 |
| Compound Name: | 7-({2-[(4-ethoxyphenyl)acetyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}methoxy)-4-methyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 543.62 |
| Molecular Formula: | C32 H33 N O7 |
| Smiles: | CCOc1ccc(CC(N2CCc3cc(c(cc3C2COc2ccc3C(C)=CC(=O)Oc3c2)OC)OC)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4895 |
| logD: | 4.4895 |
| logSw: | -4.4309 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.577 |
| InChI Key: | QHJHPRYVFBZMRG-MHZLTWQESA-N |