2-{[2-(cyclopentanecarbonyl)-1-(4-fluorophenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-1-(4-methylpiperazin-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-methylpiperazin-1-yl)butan-1-one
2-{[2-(cyclopentanecarbonyl)-1-(4-fluorophenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-1-(4-methylpiperazin-1-yl)butan-1-one
Compound characteristics
| Compound ID: | V005-0819 |
| Compound Name: | 2-{[2-(cyclopentanecarbonyl)-1-(4-fluorophenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-1-(4-methylpiperazin-1-yl)butan-1-one |
| Molecular Weight: | 507.65 |
| Molecular Formula: | C30 H38 F N3 O3 |
| Salt: | not_available |
| Smiles: | CCC(C(N1CCN(C)CC1)=O)Oc1ccc2CCN(C(c3ccc(cc3)F)c2c1)C(C1CCCC1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.9288 |
| logD: | 4.6258 |
| logSw: | -4.6637 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 43.216 |
| InChI Key: | SXDARBSAQVBDKZ-UHFFFAOYSA-N |