1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-{[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methanesulfonyl}ethan-1-one
Chemical Structure Depiction of
1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-{[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methanesulfonyl}ethan-1-one
1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-{[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methanesulfonyl}ethan-1-one
Compound characteristics
| Compound ID: | C528-0984 |
| Compound Name: | 1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-{[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methanesulfonyl}ethan-1-one |
| Molecular Weight: | 440.52 |
| Molecular Formula: | C23 H24 N2 O5 S |
| Smiles: | Cc1c(CS(CC(N2CCc3ccccc3C2)=O)(=O)=O)nc(c2cccc(c2)OC)o1 |
| Stereo: | ACHIRAL |
| logP: | 2.8673 |
| logD: | 2.8673 |
| logSw: | -3.3711 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 69.987 |
| InChI Key: | AXMIOSGJYTUHNK-UHFFFAOYSA-N |