1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-({[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)ethan-1-one
Chemical Structure Depiction of
1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-({[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)ethan-1-one
1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-({[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)ethan-1-one
Compound characteristics
| Compound ID: | C523-0545 |
| Compound Name: | 1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-({[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)ethan-1-one |
| Molecular Weight: | 438.54 |
| Molecular Formula: | C24 H26 N2 O4 S |
| Smiles: | Cc1c(CSCC(N2CCc3ccccc3C2)=O)nc(c2ccc(c(c2)OC)OC)o1 |
| Stereo: | ACHIRAL |
| logP: | 4.1514 |
| logD: | 4.1514 |
| logSw: | -4.279 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.404 |
| InChI Key: | PFMXFXDYJRSIOI-UHFFFAOYSA-N |