7-{[6,7-dimethoxy-2-(3-phenylprop-2-enoyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}-4-methyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
7-{[6,7-dimethoxy-2-(3-phenylprop-2-enoyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}-4-methyl-2H-1-benzopyran-2-one
7-{[6,7-dimethoxy-2-(3-phenylprop-2-enoyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}-4-methyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | C199-0094 |
| Compound Name: | 7-{[6,7-dimethoxy-2-(3-phenylprop-2-enoyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}-4-methyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 511.57 |
| Molecular Formula: | C31 H29 N O6 |
| Smiles: | CC1=CC(=O)Oc2cc(ccc12)OCC1c2cc(c(cc2CCN1C(/C=C/c1ccccc1)=O)OC)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5314 |
| logD: | 4.5314 |
| logSw: | -4.5075 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.453 |
| InChI Key: | PQRXTCNZOUHNNT-SANMLTNESA-N |