1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-[({5-methyl-2-[4-(methylsulfanyl)phenyl]-1,3-oxazol-4-yl}methyl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-[({5-methyl-2-[4-(methylsulfanyl)phenyl]-1,3-oxazol-4-yl}methyl)sulfanyl]ethan-1-one
1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-[({5-methyl-2-[4-(methylsulfanyl)phenyl]-1,3-oxazol-4-yl}methyl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | C523-1205 |
| Compound Name: | 1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-[({5-methyl-2-[4-(methylsulfanyl)phenyl]-1,3-oxazol-4-yl}methyl)sulfanyl]ethan-1-one |
| Molecular Weight: | 424.58 |
| Molecular Formula: | C23 H24 N2 O2 S2 |
| Smiles: | Cc1c(CSCC(N2CCc3ccccc3C2)=O)nc(c2ccc(cc2)SC)o1 |
| Stereo: | ACHIRAL |
| logP: | 5.3268 |
| logD: | 5.3268 |
| logSw: | -5.2846 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 34.143 |
| InChI Key: | RXTMRRHDAGOPBT-UHFFFAOYSA-N |