N-[(3-methylphenyl)methyl]-2-{[1-(4-methylphenyl)-2-propanoyl-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}butanamide
Chemical Structure Depiction of
N-[(3-methylphenyl)methyl]-2-{[1-(4-methylphenyl)-2-propanoyl-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}butanamide
N-[(3-methylphenyl)methyl]-2-{[1-(4-methylphenyl)-2-propanoyl-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}butanamide
Compound characteristics
| Compound ID: | V004-2724 |
| Compound Name: | N-[(3-methylphenyl)methyl]-2-{[1-(4-methylphenyl)-2-propanoyl-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}butanamide |
| Molecular Weight: | 484.64 |
| Molecular Formula: | C31 H36 N2 O3 |
| Smiles: | CCC(C(NCc1cccc(C)c1)=O)Oc1ccc2CCN(C(c3ccc(C)cc3)c2c1)C(CC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.4047 |
| logD: | 6.4047 |
| logSw: | -5.6001 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.691 |
| InChI Key: | CQLFBHRVTOAALB-UHFFFAOYSA-N |