1-(4-acetylpiperazin-1-yl)-2-{[1-(3-fluorophenyl)-2-propanoyl-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}butan-1-one
Chemical Structure Depiction of
1-(4-acetylpiperazin-1-yl)-2-{[1-(3-fluorophenyl)-2-propanoyl-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}butan-1-one
1-(4-acetylpiperazin-1-yl)-2-{[1-(3-fluorophenyl)-2-propanoyl-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}butan-1-one
Compound characteristics
| Compound ID: | V015-9789 |
| Compound Name: | 1-(4-acetylpiperazin-1-yl)-2-{[1-(3-fluorophenyl)-2-propanoyl-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}butan-1-one |
| Molecular Weight: | 495.59 |
| Molecular Formula: | C28 H34 F N3 O4 |
| Smiles: | CCC(C(N1CCN(CC1)C(C)=O)=O)Oc1ccc2CCN(C(c3cccc(c3)F)c2c1)C(CC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.8495 |
| logD: | 3.8495 |
| logSw: | -3.888 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 56.121 |
| InChI Key: | YJBRUPNKHCEMNU-UHFFFAOYSA-N |