1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-{2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl}ethan-1-one
Chemical Structure Depiction of
1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-{2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl}ethan-1-one
1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-{2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl}ethan-1-one
Compound characteristics
| Compound ID: | D629-0158 |
| Compound Name: | 1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-{2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl}ethan-1-one |
| Molecular Weight: | 378.49 |
| Molecular Formula: | C22 H22 N2 O2 S |
| Smiles: | Cc1ccc(cc1)OCc1nc(CC(N2CCc3ccccc3C2)=O)cs1 |
| Stereo: | ACHIRAL |
| logP: | 4.6424 |
| logD: | 4.6424 |
| logSw: | -4.3326 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 34.245 |
| InChI Key: | XCNOOTIDKSVRTB-UHFFFAOYSA-N |