7-{[2-(3,4-diethoxybenzoyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}-4-methyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
7-{[2-(3,4-diethoxybenzoyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}-4-methyl-2H-1-benzopyran-2-one
7-{[2-(3,4-diethoxybenzoyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}-4-methyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | C199-0001 |
| Compound Name: | 7-{[2-(3,4-diethoxybenzoyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}-4-methyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 573.64 |
| Molecular Formula: | C33 H35 N O8 |
| Smiles: | CCOc1ccc(cc1OCC)C(N1CCc2cc(c(cc2C1COc1ccc2C(C)=CC(=O)Oc2c1)OC)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0694 |
| logD: | 4.0694 |
| logSw: | -4.2226 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 73.401 |
| InChI Key: | DOUYLHQWUQWFSA-SANMLTNESA-N |