N-[(4-fluorophenyl)methyl]-2-{[1-(3-fluorophenyl)-2-(3-methylbutanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}butanamide
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-2-{[1-(3-fluorophenyl)-2-(3-methylbutanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}butanamide
N-[(4-fluorophenyl)methyl]-2-{[1-(3-fluorophenyl)-2-(3-methylbutanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}butanamide
Compound characteristics
| Compound ID: | V009-0503 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-2-{[1-(3-fluorophenyl)-2-(3-methylbutanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}butanamide |
| Molecular Weight: | 520.62 |
| Molecular Formula: | C31 H34 F2 N2 O3 |
| Smiles: | CCC(C(NCc1ccc(cc1)F)=O)Oc1ccc2CCN(C(c3cccc(c3)F)c2c1)C(CC(C)C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.1978 |
| logD: | 6.1978 |
| logSw: | -5.4969 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.691 |
| InChI Key: | ZWCGWTBDSZFJNC-UHFFFAOYSA-N |