1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methanesulfinyl}ethan-1-one
Chemical Structure Depiction of
1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methanesulfinyl}ethan-1-one
1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methanesulfinyl}ethan-1-one
Compound characteristics
| Compound ID: | C527-0677 |
| Compound Name: | 1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methanesulfinyl}ethan-1-one |
| Molecular Weight: | 408.52 |
| Molecular Formula: | C23 H24 N2 O3 S |
| Smiles: | Cc1ccc(cc1)c1nc(CS(CC(N2CCc3ccccc3C2)=O)=O)c(C)o1 |
| Stereo: | ACHIRAL |
| logP: | 3.6384 |
| logD: | 3.6384 |
| logSw: | -3.6973 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.187 |
| InChI Key: | GSOBMDYEUFEJOJ-UHFFFAOYSA-N |