2-{[2-(cyclopentanecarbonyl)-1-(4-fluorophenyl)-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-(cyclopentanecarbonyl)-1-(4-fluorophenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-1-[4-(prop-2-en-1-yl)piperazin-1-yl]butan-1-one
2-{[2-(cyclopentanecarbonyl)-1-(4-fluorophenyl)-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: | V005-0855 |
| Compound Name: | 2-{[2-(cyclopentanecarbonyl)-1-(4-fluorophenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-1-[4-(prop-2-en-1-yl)piperazin-1-yl]butan-1-one |
| Molecular Weight: | 533.69 |
| Molecular Formula: | C32 H40 F N3 O3 |
| Salt: | not_available |
| Smiles: | CCC(C(N1CCN(CC1)CC=C)=O)Oc1ccc2CCN(C(c3ccc(cc3)F)c2c1)C(C1CCCC1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.5302 |
| logD: | 5.4216 |
| logSw: | -5.3325 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 43.53 |
| InChI Key: | LTDSMEQWZRQRGL-UHFFFAOYSA-N |