1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-{[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methanesulfinyl}ethan-1-one
Chemical Structure Depiction of
1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-{[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methanesulfinyl}ethan-1-one
1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-{[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methanesulfinyl}ethan-1-one
Compound characteristics
| Compound ID: | C527-0017 |
| Compound Name: | 1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-{[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methanesulfinyl}ethan-1-one |
| Molecular Weight: | 424.52 |
| Molecular Formula: | C23 H24 N2 O4 S |
| Smiles: | Cc1c(CS(CC(N2CCc3ccccc3C2)=O)=O)nc(c2ccc(cc2)OC)o1 |
| Stereo: | ACHIRAL |
| logP: | 3.1974 |
| logD: | 3.1974 |
| logSw: | -3.3514 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.731 |
| InChI Key: | MHTQMBPJHPRWDD-UHFFFAOYSA-N |