7-({2-[3-(2H-1,3-benzodioxol-5-yl)prop-2-enoyl]-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-(2H-1,3-benzodioxol-5-yl)prop-2-enoyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}methoxy)-4-methyl-2H-1-benzopyran-2-one
7-({2-[3-(2H-1,3-benzodioxol-5-yl)prop-2-enoyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}methoxy)-4-methyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | C199-0009 |
| Compound Name: | 7-({2-[3-(2H-1,3-benzodioxol-5-yl)prop-2-enoyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}methoxy)-4-methyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 555.58 |
| Molecular Formula: | C32 H29 N O8 |
| Smiles: | CC1=CC(=O)Oc2cc(ccc12)OCC1c2cc(c(cc2CCN1C(/C=C/c1ccc2c(c1)OCO2)=O)OC)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5313 |
| logD: | 4.5313 |
| logSw: | -4.4486 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 75.569 |
| InChI Key: | NFHNHVALISZVGQ-VWLOTQADSA-N |