7-{[2-(2H-1,3-benzodioxole-5-carbonyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}-4-methyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
7-{[2-(2H-1,3-benzodioxole-5-carbonyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}-4-methyl-2H-1-benzopyran-2-one
7-{[2-(2H-1,3-benzodioxole-5-carbonyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}-4-methyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | C199-0062 |
| Compound Name: | 7-{[2-(2H-1,3-benzodioxole-5-carbonyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}-4-methyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 529.55 |
| Molecular Formula: | C30 H27 N O8 |
| Smiles: | CC1=CC(=O)Oc2cc(ccc12)OCC1c2cc(c(cc2CCN1C(c1ccc2c(c1)OCO2)=O)OC)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8763 |
| logD: | 3.8763 |
| logSw: | -4.0485 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 76.096 |
| InChI Key: | ABCXYEDWDNVUAY-QHCPKHFHSA-N |