2-{[2-(cyclopropanecarbonyl)-1-(3-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-(3-methylbutyl)butanamide
Chemical Structure Depiction of
2-{[2-(cyclopropanecarbonyl)-1-(3-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-(3-methylbutyl)butanamide
2-{[2-(cyclopropanecarbonyl)-1-(3-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-(3-methylbutyl)butanamide
Compound characteristics
| Compound ID: | V023-9960 |
| Compound Name: | 2-{[2-(cyclopropanecarbonyl)-1-(3-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-(3-methylbutyl)butanamide |
| Molecular Weight: | 462.63 |
| Molecular Formula: | C29 H38 N2 O3 |
| Smiles: | CCC(C(NCCC(C)C)=O)Oc1ccc2CCN(C(c3cccc(C)c3)c2c1)C(C1CC1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.2748 |
| logD: | 6.2748 |
| logSw: | -5.4309 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.583 |
| InChI Key: | DBEDNWYVNATOJU-UHFFFAOYSA-N |