2-{[1-(3-fluorophenyl)-2-(2-methylpropanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-[(oxolan-2-yl)methyl]butanamide
Chemical Structure Depiction of
2-{[1-(3-fluorophenyl)-2-(2-methylpropanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-[(oxolan-2-yl)methyl]butanamide
2-{[1-(3-fluorophenyl)-2-(2-methylpropanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-[(oxolan-2-yl)methyl]butanamide
Compound characteristics
| Compound ID: | V030-7788 |
| Compound Name: | 2-{[1-(3-fluorophenyl)-2-(2-methylpropanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-[(oxolan-2-yl)methyl]butanamide |
| Molecular Weight: | 482.6 |
| Molecular Formula: | C28 H35 F N2 O4 |
| Smiles: | CCC(C(NCC1CCCO1)=O)Oc1ccc2CCN(C(c3cccc(c3)F)c2c1)C(C(C)C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.6429 |
| logD: | 4.6429 |
| logSw: | -4.3416 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.873 |
| InChI Key: | DSFCHOKMVAEROV-UHFFFAOYSA-N |