2-{[1-(3-fluorophenyl)-2-propanoyl-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-[(oxolan-2-yl)methyl]butanamide
Chemical Structure Depiction of
2-{[1-(3-fluorophenyl)-2-propanoyl-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-[(oxolan-2-yl)methyl]butanamide
2-{[1-(3-fluorophenyl)-2-propanoyl-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-[(oxolan-2-yl)methyl]butanamide
Compound characteristics
| Compound ID: | V015-9845 |
| Compound Name: | 2-{[1-(3-fluorophenyl)-2-propanoyl-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-[(oxolan-2-yl)methyl]butanamide |
| Molecular Weight: | 468.57 |
| Molecular Formula: | C27 H33 F N2 O4 |
| Smiles: | CCC(C(NCC1CCCO1)=O)Oc1ccc2CCN(C(c3cccc(c3)F)c2c1)C(CC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.2546 |
| logD: | 4.2546 |
| logSw: | -4.1059 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.345 |
| InChI Key: | XWGJVPAFIKRMCT-UHFFFAOYSA-N |