6-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl]-7-methoxy-4-methyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl]-7-methoxy-4-methyl-2H-1-benzopyran-2-one
6-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl]-7-methoxy-4-methyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y041-0518 |
| Compound Name: | 6-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl]-7-methoxy-4-methyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 377.44 |
| Molecular Formula: | C23 H23 N O4 |
| Smiles: | CC1=CC(=O)Oc2cc(c(CCC(N3CCc4ccccc4C3)=O)cc12)OC |
| Stereo: | ACHIRAL |
| logP: | 3.9002 |
| logD: | 3.9002 |
| logSw: | -3.9853 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.059 |
| InChI Key: | QFKSEMXNVKATBZ-UHFFFAOYSA-N |