6-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl]-2,3,5-trimethyl-7H-furo[3,2-g][1]benzopyran-7-one
Chemical Structure Depiction of
6-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl]-2,3,5-trimethyl-7H-furo[3,2-g][1]benzopyran-7-one
6-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl]-2,3,5-trimethyl-7H-furo[3,2-g][1]benzopyran-7-one
Compound characteristics
| Compound ID: | D634-0102 |
| Compound Name: | 6-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl]-2,3,5-trimethyl-7H-furo[3,2-g][1]benzopyran-7-one |
| Molecular Weight: | 415.49 |
| Molecular Formula: | C26 H25 N O4 |
| Smiles: | CC1=C(CCC(N2CCc3ccccc3C2)=O)C(=O)Oc2cc3c(cc12)c(C)c(C)o3 |
| Stereo: | ACHIRAL |
| logP: | 4.8336 |
| logD: | 4.8336 |
| logSw: | -4.7034 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.89 |
| InChI Key: | BFBPTKIQTKNIJZ-UHFFFAOYSA-N |