2-{[2-(2,2-dimethylpropanoyl)-1-(3-fluorophenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-ethylbutanamide
Chemical Structure Depiction of
2-{[2-(2,2-dimethylpropanoyl)-1-(3-fluorophenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-ethylbutanamide
2-{[2-(2,2-dimethylpropanoyl)-1-(3-fluorophenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-ethylbutanamide
Compound characteristics
| Compound ID: | V008-6669 |
| Compound Name: | 2-{[2-(2,2-dimethylpropanoyl)-1-(3-fluorophenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-ethylbutanamide |
| Molecular Weight: | 440.56 |
| Molecular Formula: | C26 H33 F N2 O3 |
| Smiles: | CCC(C(NCC)=O)Oc1ccc2CCN(C(c3cccc(c3)F)c2c1)C(C(C)(C)C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.1505 |
| logD: | 5.1505 |
| logSw: | -5.087 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.116 |
| InChI Key: | BOEMCJXXJWMOCY-UHFFFAOYSA-N |