7-{[6,7-dimethoxy-2-(4-phenylbutanoyl)-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-phenylbutanoyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}-4-methyl-2H-1-benzopyran-2-one
7-{[6,7-dimethoxy-2-(4-phenylbutanoyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}-4-methyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | C199-0063 |
| Compound Name: | 7-{[6,7-dimethoxy-2-(4-phenylbutanoyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}-4-methyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 527.62 |
| Molecular Formula: | C32 H33 N O6 |
| Smiles: | CC1=CC(=O)Oc2cc(ccc12)OCC1c2cc(c(cc2CCN1C(CCCc1ccccc1)=O)OC)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1351 |
| logD: | 5.1351 |
| logSw: | -5.1147 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.453 |
| InChI Key: | IIGBCQDFYQQHSG-MHZLTWQESA-N |