7-{[2-(2-ethylbutanoyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}-4-methyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
7-{[2-(2-ethylbutanoyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}-4-methyl-2H-1-benzopyran-2-one
7-{[2-(2-ethylbutanoyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}-4-methyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | C199-0140 |
| Compound Name: | 7-{[2-(2-ethylbutanoyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}-4-methyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 479.57 |
| Molecular Formula: | C28 H33 N O6 |
| Smiles: | CCC(CC)C(N1CCc2cc(c(cc2C1COc1ccc2C(C)=CC(=O)Oc2c1)OC)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3655 |
| logD: | 4.3655 |
| logSw: | -4.3769 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.252 |
| InChI Key: | XDLMOCVKPBDGQH-QHCPKHFHSA-N |