[4-(4-fluorophenyl)piperazin-1-yl][1-(2-methoxyanilino)isoquinolin-4-yl]methanone
Chemical Structure Depiction of
[4-(4-fluorophenyl)piperazin-1-yl][1-(2-methoxyanilino)isoquinolin-4-yl]methanone
[4-(4-fluorophenyl)piperazin-1-yl][1-(2-methoxyanilino)isoquinolin-4-yl]methanone
Compound characteristics
| Compound ID: | C138-0788 |
| Compound Name: | [4-(4-fluorophenyl)piperazin-1-yl][1-(2-methoxyanilino)isoquinolin-4-yl]methanone |
| Molecular Weight: | 456.52 |
| Molecular Formula: | C27 H25 F N4 O2 |
| Smiles: | COc1ccccc1Nc1c2ccccc2c(cn1)C(N1CCN(CC1)c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9246 |
| logD: | 4.5532 |
| logSw: | -4.6744 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.498 |
| InChI Key: | AUBWLLPRCUPMNO-UHFFFAOYSA-N |