N-ethyl-2-{[1-(3-fluorophenyl)-2-(3-methylbutanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}propanamide
Chemical Structure Depiction of
N-ethyl-2-{[1-(3-fluorophenyl)-2-(3-methylbutanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}propanamide
N-ethyl-2-{[1-(3-fluorophenyl)-2-(3-methylbutanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}propanamide
Compound characteristics
| Compound ID: | V030-1227 |
| Compound Name: | N-ethyl-2-{[1-(3-fluorophenyl)-2-(3-methylbutanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}propanamide |
| Molecular Weight: | 426.53 |
| Molecular Formula: | C25 H31 F N2 O3 |
| Smiles: | CCNC(C(C)Oc1ccc2CCN(C(c3cccc(c3)F)c2c1)C(CC(C)C)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.5976 |
| logD: | 4.5976 |
| logSw: | -4.2539 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.705 |
| InChI Key: | XEODFWVGAOVJNW-UHFFFAOYSA-N |