2-{[2-(2,2-dimethylpropanoyl)-1-(4-fluorophenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-[(pyridin-2-yl)methyl]butanamide
Chemical Structure Depiction of
2-{[2-(2,2-dimethylpropanoyl)-1-(4-fluorophenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-[(pyridin-2-yl)methyl]butanamide
2-{[2-(2,2-dimethylpropanoyl)-1-(4-fluorophenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-[(pyridin-2-yl)methyl]butanamide
Compound characteristics
| Compound ID: | V024-4651 |
| Compound Name: | 2-{[2-(2,2-dimethylpropanoyl)-1-(4-fluorophenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-[(pyridin-2-yl)methyl]butanamide |
| Molecular Weight: | 503.62 |
| Molecular Formula: | C30 H34 F N3 O3 |
| Salt: | not_available |
| Smiles: | CCC(C(NCc1ccccn1)=O)Oc1ccc2CCN(C(c3ccc(cc3)F)c2c1)C(C(C)(C)C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.1841 |
| logD: | 5.1838 |
| logSw: | -5.0045 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.762 |
| InChI Key: | OKPXQTMGKKHNKX-UHFFFAOYSA-N |