N,N-diethyl-2-{[1-(4-fluorophenyl)-2-(3-methylbutanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}butanamide
Chemical Structure Depiction of
N,N-diethyl-2-{[1-(4-fluorophenyl)-2-(3-methylbutanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}butanamide
N,N-diethyl-2-{[1-(4-fluorophenyl)-2-(3-methylbutanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}butanamide
Compound characteristics
| Compound ID: | V003-7866 |
| Compound Name: | N,N-diethyl-2-{[1-(4-fluorophenyl)-2-(3-methylbutanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}butanamide |
| Molecular Weight: | 468.61 |
| Molecular Formula: | C28 H37 F N2 O3 |
| Smiles: | CCC(C(N(CC)CC)=O)Oc1ccc2CCN(C(c3ccc(cc3)F)c2c1)C(CC(C)C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.7806 |
| logD: | 5.7806 |
| logSw: | -5.5402 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 38.21 |
| InChI Key: | DOJSBKQNKJBULR-UHFFFAOYSA-N |