2-{[5-(2H-1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy}-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one
Chemical Structure Depiction of
2-{[5-(2H-1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy}-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one
2-{[5-(2H-1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy}-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one
Compound characteristics
| Compound ID: | E613-0081 |
| Compound Name: | 2-{[5-(2H-1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy}-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one |
| Molecular Weight: | 392.41 |
| Molecular Formula: | C22 H20 N2 O5 |
| Smiles: | C1CN(Cc2ccccc12)C(COCc1cc(c2ccc3c(c2)OCO3)on1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3006 |
| logD: | 3.3006 |
| logSw: | -3.3993 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 63.602 |
| InChI Key: | MQSZZWPYSQHHTN-UHFFFAOYSA-N |