N-ethyl-2-{[1-(3-fluorophenyl)-2-propanoyl-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}butanamide
Chemical Structure Depiction of
N-ethyl-2-{[1-(3-fluorophenyl)-2-propanoyl-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}butanamide
N-ethyl-2-{[1-(3-fluorophenyl)-2-propanoyl-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}butanamide
Compound characteristics
| Compound ID: | V007-6147 |
| Compound Name: | N-ethyl-2-{[1-(3-fluorophenyl)-2-propanoyl-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}butanamide |
| Molecular Weight: | 412.5 |
| Molecular Formula: | C24 H29 F N2 O3 |
| Smiles: | CCC(C(NCC)=O)Oc1ccc2CCN(C(c3cccc(c3)F)c2c1)C(CC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.3784 |
| logD: | 4.3784 |
| logSw: | -4.1926 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.588 |
| InChI Key: | XSCLTOOGCKZFCO-UHFFFAOYSA-N |