2-{[2-(3-methylbutanoyl)-1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-[2-(pyrrolidin-1-yl)ethyl]butanamide
Chemical Structure Depiction of
2-{[2-(3-methylbutanoyl)-1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-[2-(pyrrolidin-1-yl)ethyl]butanamide
2-{[2-(3-methylbutanoyl)-1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-[2-(pyrrolidin-1-yl)ethyl]butanamide
Compound characteristics
| Compound ID: | V013-8314 |
| Compound Name: | 2-{[2-(3-methylbutanoyl)-1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-[2-(pyrrolidin-1-yl)ethyl]butanamide |
| Molecular Weight: | 505.7 |
| Molecular Formula: | C31 H43 N3 O3 |
| Salt: | not_available |
| Smiles: | CCC(C(NCCN1CCCC1)=O)Oc1ccc2CCN(C(c3ccc(C)cc3)c2c1)C(CC(C)C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.5611 |
| logD: | 3.2864 |
| logSw: | -5.2149 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.881 |
| InChI Key: | SARVIFZYSPXYRJ-UHFFFAOYSA-N |