methyl 1-[4-(2-fluorophenyl)piperazin-1-yl]isoquinoline-4-carboxylate
Chemical Structure Depiction of
methyl 1-[4-(2-fluorophenyl)piperazin-1-yl]isoquinoline-4-carboxylate
methyl 1-[4-(2-fluorophenyl)piperazin-1-yl]isoquinoline-4-carboxylate
Compound characteristics
| Compound ID: | G780-0035 |
| Compound Name: | methyl 1-[4-(2-fluorophenyl)piperazin-1-yl]isoquinoline-4-carboxylate |
| Molecular Weight: | 365.41 |
| Molecular Formula: | C21 H20 F N3 O2 |
| Smiles: | COC(c1cnc(c2ccccc12)N1CCN(CC1)c1ccccc1F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.531 |
| logD: | 4.5309 |
| logSw: | -4.2248 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 36.623 |
| InChI Key: | DPNOMISISRMBFJ-UHFFFAOYSA-N |