7-{[6,7-dimethoxy-2-(3-methylbutanoyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}-4-methyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
7-{[6,7-dimethoxy-2-(3-methylbutanoyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}-4-methyl-2H-1-benzopyran-2-one
7-{[6,7-dimethoxy-2-(3-methylbutanoyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}-4-methyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | C199-0150 |
| Compound Name: | 7-{[6,7-dimethoxy-2-(3-methylbutanoyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}-4-methyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 465.55 |
| Molecular Formula: | C27 H31 N O6 |
| Smiles: | CC(C)CC(N1CCc2cc(c(cc2C1COc1ccc2C(C)=CC(=O)Oc2c1)OC)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8658 |
| logD: | 3.8658 |
| logSw: | -4.1037 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.725 |
| InChI Key: | ZNPCPZUZQPBHPQ-QFIPXVFZSA-N |