2-{[2-(furan-2-carbonyl)-1-phenyl-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-1-(thiomorpholin-4-yl)butan-1-one
Chemical Structure Depiction of
2-{[2-(furan-2-carbonyl)-1-phenyl-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-1-(thiomorpholin-4-yl)butan-1-one
2-{[2-(furan-2-carbonyl)-1-phenyl-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-1-(thiomorpholin-4-yl)butan-1-one
Compound characteristics
| Compound ID: | V024-0115 |
| Compound Name: | 2-{[2-(furan-2-carbonyl)-1-phenyl-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-1-(thiomorpholin-4-yl)butan-1-one |
| Molecular Weight: | 490.62 |
| Molecular Formula: | C28 H30 N2 O4 S |
| Smiles: | CCC(C(N1CCSCC1)=O)Oc1ccc2CCN(C(c3ccccc3)c2c1)C(c1ccco1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.724 |
| logD: | 4.724 |
| logSw: | -4.53 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.76 |
| InChI Key: | YUVMFBAPNUNHOQ-UHFFFAOYSA-N |