methyl 1-[4-(4-fluorophenyl)piperazin-1-yl]isoquinoline-4-carboxylate
Chemical Structure Depiction of
methyl 1-[4-(4-fluorophenyl)piperazin-1-yl]isoquinoline-4-carboxylate
methyl 1-[4-(4-fluorophenyl)piperazin-1-yl]isoquinoline-4-carboxylate
Compound characteristics
| Compound ID: | G780-0071 |
| Compound Name: | methyl 1-[4-(4-fluorophenyl)piperazin-1-yl]isoquinoline-4-carboxylate |
| Molecular Weight: | 365.41 |
| Molecular Formula: | C21 H20 F N3 O2 |
| Smiles: | COC(c1cnc(c2ccccc12)N1CCN(CC1)c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5031 |
| logD: | 4.503 |
| logSw: | -4.242 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 36.924 |
| InChI Key: | MWQZDNMBNLKIFX-UHFFFAOYSA-N |