2-[(2-acetyl-1-phenyl-1,2,3,4-tetrahydroisoquinolin-7-yl)oxy]-1-(thiomorpholin-4-yl)butan-1-one
Chemical Structure Depiction of
2-[(2-acetyl-1-phenyl-1,2,3,4-tetrahydroisoquinolin-7-yl)oxy]-1-(thiomorpholin-4-yl)butan-1-one
2-[(2-acetyl-1-phenyl-1,2,3,4-tetrahydroisoquinolin-7-yl)oxy]-1-(thiomorpholin-4-yl)butan-1-one
Compound characteristics
| Compound ID: | V025-0596 |
| Compound Name: | 2-[(2-acetyl-1-phenyl-1,2,3,4-tetrahydroisoquinolin-7-yl)oxy]-1-(thiomorpholin-4-yl)butan-1-one |
| Molecular Weight: | 438.59 |
| Molecular Formula: | C25 H30 N2 O3 S |
| Smiles: | CCC(C(N1CCSCC1)=O)Oc1ccc2CCN(C(c3ccccc3)c2c1)C(C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.9046 |
| logD: | 3.9046 |
| logSw: | -3.9034 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 39.921 |
| InChI Key: | VDMNHICZGWNRQF-UHFFFAOYSA-N |