N-(3-chlorophenyl)-2-{[2-(3-methylbutanoyl)-1-phenyl-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}propanamide
Chemical Structure Depiction of
N-(3-chlorophenyl)-2-{[2-(3-methylbutanoyl)-1-phenyl-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}propanamide
N-(3-chlorophenyl)-2-{[2-(3-methylbutanoyl)-1-phenyl-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}propanamide
Compound characteristics
| Compound ID: | V016-3114 |
| Compound Name: | N-(3-chlorophenyl)-2-{[2-(3-methylbutanoyl)-1-phenyl-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}propanamide |
| Molecular Weight: | 491.03 |
| Molecular Formula: | C29 H31 Cl N2 O3 |
| Smiles: | CC(C)CC(N1CCc2ccc(cc2C1c1ccccc1)OC(C)C(Nc1cccc(c1)[Cl])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.7516 |
| logD: | 6.7513 |
| logSw: | -6.2972 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.486 |
| InChI Key: | DUHPAPFSYAEMJA-UHFFFAOYSA-N |