2-[(2-acetyl-1-phenyl-1,2,3,4-tetrahydroisoquinolin-7-yl)oxy]-1-[4-(prop-2-en-1-yl)piperazin-1-yl]butan-1-one
Chemical Structure Depiction of
2-[(2-acetyl-1-phenyl-1,2,3,4-tetrahydroisoquinolin-7-yl)oxy]-1-[4-(prop-2-en-1-yl)piperazin-1-yl]butan-1-one
2-[(2-acetyl-1-phenyl-1,2,3,4-tetrahydroisoquinolin-7-yl)oxy]-1-[4-(prop-2-en-1-yl)piperazin-1-yl]butan-1-one
Compound characteristics
| Compound ID: | V018-6822 |
| Compound Name: | 2-[(2-acetyl-1-phenyl-1,2,3,4-tetrahydroisoquinolin-7-yl)oxy]-1-[4-(prop-2-en-1-yl)piperazin-1-yl]butan-1-one |
| Molecular Weight: | 461.6 |
| Molecular Formula: | C28 H35 N3 O3 |
| Smiles: | CCC(C(N1CCN(CC1)CC=C)=O)Oc1ccc2CCN(C(c3ccccc3)c2c1)C(C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.8992 |
| logD: | 3.7906 |
| logSw: | -3.9139 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 43.712 |
| InChI Key: | XDXSOCVRZDKKLI-UHFFFAOYSA-N |