2-{[2-benzoyl-1-(3-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-1-(thiomorpholin-4-yl)ethan-1-one
Chemical Structure Depiction of
2-{[2-benzoyl-1-(3-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-1-(thiomorpholin-4-yl)ethan-1-one
2-{[2-benzoyl-1-(3-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-1-(thiomorpholin-4-yl)ethan-1-one
Compound characteristics
| Compound ID: | V023-5221 |
| Compound Name: | 2-{[2-benzoyl-1-(3-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-1-(thiomorpholin-4-yl)ethan-1-one |
| Molecular Weight: | 486.63 |
| Molecular Formula: | C29 H30 N2 O3 S |
| Smiles: | Cc1cccc(c1)C1c2cc(ccc2CCN1C(c1ccccc1)=O)OCC(N1CCSCC1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7194 |
| logD: | 4.7194 |
| logSw: | -4.5808 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 39.481 |
| InChI Key: | PGTZXPYGRALMIG-NDEPHWFRSA-N |