2-{[1-(4-fluorophenyl)-2-(2-methylpropanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-[(oxolan-2-yl)methyl]butanamide
Chemical Structure Depiction of
2-{[1-(4-fluorophenyl)-2-(2-methylpropanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-[(oxolan-2-yl)methyl]butanamide
2-{[1-(4-fluorophenyl)-2-(2-methylpropanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-[(oxolan-2-yl)methyl]butanamide
Compound characteristics
Compound ID: | V024-4120 |
Compound Name: | 2-{[1-(4-fluorophenyl)-2-(2-methylpropanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-[(oxolan-2-yl)methyl]butanamide |
Molecular Weight: | 482.6 |
Molecular Formula: | C28 H35 F N2 O4 |
Smiles: | CCC(C(NCC1CCCO1)=O)Oc1ccc2CCN(C(c3ccc(cc3)F)c2c1)C(C(C)C)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 4.586 |
logD: | 4.586 |
logSw: | -4.2888 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 55.873 |
InChI Key: | UTQAJRSYPSETGW-UHFFFAOYSA-N |