2-({[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one
Chemical Structure Depiction of
2-({[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one
2-({[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one
Compound characteristics
| Compound ID: | C523-1865 |
| Compound Name: | 2-({[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one |
| Molecular Weight: | 412.94 |
| Molecular Formula: | C22 H21 Cl N2 O2 S |
| Smiles: | Cc1c(CSCC(N2CCc3ccccc3C2)=O)nc(c2cccc(c2)[Cl])o1 |
| Stereo: | ACHIRAL |
| logP: | 5.19 |
| logD: | 5.19 |
| logSw: | -5.5233 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 34.143 |
| InChI Key: | DVEGGGJELNDODR-UHFFFAOYSA-N |