N-(3-methylbutyl)-2-{[1-(3-methylphenyl)-2-propanoyl-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}butanamide
Chemical Structure Depiction of
N-(3-methylbutyl)-2-{[1-(3-methylphenyl)-2-propanoyl-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}butanamide
N-(3-methylbutyl)-2-{[1-(3-methylphenyl)-2-propanoyl-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}butanamide
Compound characteristics
| Compound ID: | V024-1836 |
| Compound Name: | N-(3-methylbutyl)-2-{[1-(3-methylphenyl)-2-propanoyl-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}butanamide |
| Molecular Weight: | 450.62 |
| Molecular Formula: | C28 H38 N2 O3 |
| Smiles: | CCC(C(NCCC(C)C)=O)Oc1ccc2CCN(C(c3cccc(C)c3)c2c1)C(CC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.0974 |
| logD: | 6.0974 |
| logSw: | -5.4143 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.804 |
| InChI Key: | CCGUPIUOBIHBCA-UHFFFAOYSA-N |