2-{[2-(2,2-dimethylpropanoyl)-1-(4-fluorophenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-propylbutanamide
Chemical Structure Depiction of
2-{[2-(2,2-dimethylpropanoyl)-1-(4-fluorophenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-propylbutanamide
2-{[2-(2,2-dimethylpropanoyl)-1-(4-fluorophenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-propylbutanamide
Compound characteristics
| Compound ID: | V024-4719 |
| Compound Name: | 2-{[2-(2,2-dimethylpropanoyl)-1-(4-fluorophenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-propylbutanamide |
| Molecular Weight: | 454.58 |
| Molecular Formula: | C27 H35 F N2 O3 |
| Smiles: | CCCNC(C(CC)Oc1ccc2CCN(C(c3ccc(cc3)F)c2c1)C(C(C)(C)C)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.5597 |
| logD: | 5.5597 |
| logSw: | -5.4255 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.331 |
| InChI Key: | VXCGFCSLZOYECO-UHFFFAOYSA-N |