2-{[1-(3-fluorophenyl)-2-(3-methylbutanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-[(pyridin-4-yl)methyl]butanamide
Chemical Structure Depiction of
2-{[1-(3-fluorophenyl)-2-(3-methylbutanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-[(pyridin-4-yl)methyl]butanamide
2-{[1-(3-fluorophenyl)-2-(3-methylbutanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-[(pyridin-4-yl)methyl]butanamide
Compound characteristics
| Compound ID: | V004-6986 |
| Compound Name: | 2-{[1-(3-fluorophenyl)-2-(3-methylbutanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-[(pyridin-4-yl)methyl]butanamide |
| Molecular Weight: | 503.62 |
| Molecular Formula: | C30 H34 F N3 O3 |
| Salt: | not_available |
| Smiles: | CCC(C(NCc1ccncc1)=O)Oc1ccc2CCN(C(c3cccc(c3)F)c2c1)C(CC(C)C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.8122 |
| logD: | 4.8089 |
| logSw: | -4.3023 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.119 |
| InChI Key: | ICQHMUCEACGPQW-UHFFFAOYSA-N |